Methyl 3-amino-2-fluorobenzoate (CAS 1195768-18-3)

Methyl 3-amino-2-fluorobenzoate (CAS 1195768-18-3) is a chemical compound registered under number CAS 1195768-18-3, with the molecular formula C₈H₈FNO₂, and a molar mass of 169.15 g/mol.

The molecule contains 20 atoms connected by 20 chemical bonds. The full systematic IUPAC name of this compound is methyl 3-amino-2-fluorobenzoate. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 1.1 (positive value, a lipophilic compound), polar surface area PSA = 52.3 Ų, 1 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Wzór sumaryczny	C8H8FNO2
Masa molowa	169.15 g/mol
IUPAC	methyl 3-amino-2-fluorobenzoate
SMILES	COC(=O)C1=C(C(=CC=C1)N)F
InChIKey	UOYDNSRSUSNCKS-UHFFFAOYSA-N
logP (XLogP3)	1.1
PSA	52.3 Ų
HBD / HBA	1 / 4
PubChem CID	CID 46311080 ↗

Sygnał: Niebezpieczeństwo

H315 — Działa drażniąco na skórę

METHYL 3-AMINO-2-FLUOROBENZOATE · 1195768-18-3 · Benzoic acid, 3-amino-2-fluoro-, methyl ester · RefChem:815143 · DTXCID90623944 · 629-868-4 · 3-amino-2-fluoro-benzoic acid methyl ester · MFCD12923265 · methyl 3-amino-2-fluoro-benzoate · 3-amino-2-fluoroBenzoic acid Methyl ester · VXB76818 · AKOS016006681 · AS-42407 · CS-0038763 · M2868

• 📊 PubChem CID 46311080 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

Methyl 3-amino-2-fluorobenzoate (CAS 1195768-18-3) →