2-Bromobenzophenone — License & Provenance

CAS 13047-06-8 · C13H9BrO · MolGod 3D molecular model

2-Bromobenzophenone (CAS 13047-06-8) — MolGod molecule record: properties, safety, literature and sources for this substance.

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Identity

MolGod Identification NumberMG_521-527-790-53
CAS Registry Number13047-06-8
Name sourcecache cas-*.json field "title" (angielski)
Molecular formulaC13H9BrO
PubChem CID2735534
InChIKeyABEVIHIQUUXDMS-UHFFFAOYSA-N
WikidataQ82157940
MolGod molecule record2-Bromobenzophenone (CAS 13047-06-8) — molecule record

Geometry provenance

SourcePubChem, record_type=3d (computed conformer)
Endpointhttps://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/2735534/record/SDF?record_type=3d
Dimensionality3d
Retrieved2026-09-02 13:22:13
Atoms / bonds24 / 25
ModificationNone. Atomic coordinates and connectivity are used unchanged; no geometry was modelled, adjusted or inferred.

Preview

3D molecular model of 2-Bromobenzophenone (CAS 13047-06-8), ball-and-stick representation, rendered from the MolGod STL fileDownload image


Rendered from this exact STL file, not from a second source. Single material — the STL format carries no colour channel. Colours in the preview are assigned by the renderer from the element palette and are not part of the downloadable geometry.

Engraved variant

3D molecular model of 2-Bromobenzophenone (CAS 13047-06-8), engraved variant: element symbols recessed into each atom sphere, rendered from the MolGod STL fileDownload image

The element symbol is cut into the sphere, not printed on it. That single difference is what this variant is for.

Why the preview looks the way it does. A carved letter has no colour of its own — on a pale atom it would disappear into the highlight. The preview is rendered from the mesh itself with ray-traced cavity shading, so recesses darken because they are recessed, not because we painted them. What you see is the geometry you will receive. The element colours follow the same palette as the interactive viewer on this site, so the model and the viewer never disagree about what an atom is.

Element symbols are recessed into the atom spheres. Mesh: 338,396 triangles versus 10,752.

Download engraved variant: 2-Bromobenzophenone-3D-molecular-model-engraved-CAS-13047-06-8.stl (16 MB)
SHA-256 e36a702caa58387e6333dbeb96264fd44e9f03516645bec9a7f015f128c4d718
Validation: mesh validity check PASS before publication (2026-10-14); external cross-check NOT PERFORMED for this model
Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 7.2 mm per Å (model about 60 mm across); resin printer (50 µm) at least 1.7 mm per Å (about 15 mm). Below this scale the engraved symbols become too fine to print. The printer limits are typical values assumed by MolGod, not a test of your printer.

Artefact

FormatSTL (binary). Coordinate convention: ångström (Å) — STL itself stores no unit metadata. Slicers read STL as millimetres by default, so set the scale deliberately before printing.
Print scaleRecommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 3.4 mm per Å (model about 35 mm across); resin printer (50 µm) at least 0.5 mm per Å (about 6 mm). Below this scale the thinnest bond cylinders become too thin to print. The printer limits are typical values assumed by MolGod, not a test of your printer.
Download2-Bromobenzophenone-3D-molecular-model-CAS-13047-06-8.stl (525 KB)
SHA-2565fd3af2b68a589ec26262f1260f1ec9cf64b35ed20091e33540ed8007132426f
MD574ec9bf1c78223a5e19e9a763ef8ce13
Size537,684 bytes
Triangles10,752
Mesh24 atom spheres + 32 bond cylinders (one, two or three per bond, by bond order), each a closed outward-oriented solid; the solids intersect by design.
Atomic radiivan der Waals radii from the versioned MolGod table MG2, values from Bondi 1964 (doi:10.1021/j100785a001), checked against the original publication: Table I, p. 443. Used in this model: Br 1.85 Å†, C 1.70 Å, H 1.20 Å, O 1.52 Å.
†Br: 1.85 Å as printed in the original (Bondi 1964, Table I, p. 443); later compilations quote Mantina 2009 Table 12 (doi:10.1021/jp8111556): 1.83 Å; Alvarez 2013 Table 1 (doi:10.1039/c3dt50599e): 1.83 Å. We use the value printed in the original.
The file header declares vdw:MG2.
Sphere scale and bond radius are presentation parameters, not chemical quantities.
ExporterMolGod STL Exporter build 48804cd20b0d
Validatormesh validity check PASS before publication (2026-10-14); independently confirmed by trimesh 5.1.0 and numpy-stl (10080 triangles, watertight, consistent winding, positive volume), checked 2026-09-26T00:14:31Z
Generated2026-10-14T11:53:12Z
The STL format stores no bond-order or colour metadata. Bond order is therefore shown geometrically — one, two or three cylinders per bond, following the PubChem Kekulé structure, in both the canonical and the engraved variant — and preserved as data in this record and in the accompanying metadata.

License

LicenseCC BY-SA 4.0 International
CreatorMolGod Scientific
Required attribution"2-Bromobenzophenone (CAS 13047-06-8) — 3D molecular model" by MolGod Scientific, licensed under CC BY-SA 4.0 International. Rendered as a triangulated mesh (van der Waals spheres and bond cylinders) from the PubChem-computed 3D conformer; atomic coordinates and connectivity unchanged. Source: https://molgod.org/licenses/stl/13047-06-8/
Wikimedia Commons tag{{Cc-by-sa-4.0}}
Source representationPubChem computed 3D conformer (record_type=3d) — generated by PubChem itself, not supplied by a depositor.
Source rights basisNCBI Molecular Data Usage Policy. NCBI does not itself restrict use or redistribution of molecular data, but does not transfer rights that individual depositors may hold.
Rights assessmentcompatible — MolGod's own determination that this computed conformer may serve as the geometric basis of a derived mesh. This is not a licence grant by the source. The measured basis is that the conformer is computed by PubChem rather than deposited by a third party. A formal legal assessment of downstream rights has not been carried out; that risk is accepted explicitly and recorded in the MolGod decision register (2026-09-25).
Assessment scopeThis assessment covers only the computed 3D conformer used as geometric input. It does not extend to depositor data obtained from PubChem — names, spectra, physicochemical values or anything else.
Source URLPubChem CID 2735534
Source license termsNCBI Policies and Disclaimers
Source licensing guidancePubChem data downloads & licensing — PubChem states that an individual data source may provide its own licence terms and that these should be checked per source. This model uses a PubChem-computed conformer, not depositor-supplied data.
Attribution URLhttps://molgod.org/molecule/13047-06-8/
License & provenance URLhttps://molgod.org/licenses/stl/13047-06-8/
ScopeThis license applies to the MolGod-created STL mesh, not automatically to third-party source material.
Licence terms & attributionMolGod licence and attribution rules →

Licence grant. MolGod Scientific, the creator and copyright holder of the STL mesh of MolGod entity MG_521-527-790-53, variant normal (SHA-256 5fd3af2b68a589ec26262f1260f1ec9cf64b35ed20091e33540ed8007132426f), hereby releases it under the CC BY-SA 4.0 International licence. The release covers the MolGod-created mesh only, not third-party source material (see Scope above).

The license above is the legal instrument and is granted by its official Creative Commons deed. This page is the MolGod provenance record for the artefact; it documents the source and the pipeline, and does not impose any condition beyond those of the license itself.