# 8-(5-Bromofuran-2-yl)-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide

**CAS:** 1104636-88-5  
**PubChem CID:** [172005653](https://pubchem.ncbi.nlm.nih.gov/compound/172005653)  
**Molecular formula:** C9H9BBrNO5  
**Molar mass:** 301.89 g/mol  
**IUPAC:** 1-(5-bromofuran-2-yl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione  
**SMILES:** `[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C3=CC=C(O3)Br`  
**InChIKey:** `PJRWYIGOYAISOC-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C9H9BBrNO5/c1-12-4-8(13)16-10(12,17-9(14)5-12)6-2-3-7(11)15-6/h2-3H,4-5H2,1H3`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 65.7 Ų |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 1 |
| Heavy atoms | 17 |

## 3D structure

The molecule contains 26 atoms connected by 28 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/1104636-88-5/

## Synonyms

- 1104636-88-5
- MFCD34646293
- AS-96626

## Data sources

- [PubChem CID 172005653](https://pubchem.ncbi.nlm.nih.gov/compound/172005653)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=1104636-88-5)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=1104636-88-5)

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- Canonical: https://molgod.org/molecule/1104636-88-5/

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**How to cite:** MolGod.org. "8-(5-Bromofuran-2-yl)-4-methyl-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide (CAS 1104636-88-5)." Last modified 2026-09-02. https://molgod.org/molecule/1104636-88-5/ — for a chemical fact, cite its primary source (PubChem CID 172005653); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record.

*Last updated: 2026-09-02 · Generator: MOL-GOD v3.12.33*