3-Fluorobenzoic Acid
TL;DR: 3-Fluorobenzoic Acid (CAS 455-38-9) is a chemical compound with molecular formula C7H5FO2 and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluorobenzoic acid
Also Known As: 3-FLUOROBENZOIC ACID, m-Fluorobenzoic acid, Benzoic acid, 3-fluoro-, 3-Fluorobenzoate, Benzoic acid, m-fluoro-
| Molecular Formula | C7H5FO2 |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.02736 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
| Vapor Pressure | 0.05 [mmHg] |
Chemical Identifiers
| CAS Number | 455-38-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)C(=O)O |
| InChIKey | MXNBDFWNYRNIBH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluorobenzoic Acid (CAS 455-38-9), with molecular formula C7H5FO2 and molecular weight 140.03 g/mol. IUPAC: 3-fluorobenzoic acid.
Chemical Property Profile of 3-Fluorobenzoic Acid
Property Insights of 3-Fluorobenzoic Acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluorobenzoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Fluorobenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzoic Acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Fluorobenzoic Acid?
The CAS number of 3-Fluorobenzoic Acid is 455-38-9.
What is the molecular formula of 3-Fluorobenzoic Acid?
The molecular formula of 3-Fluorobenzoic Acid is C7H5FO2.
What is the molecular weight of 3-Fluorobenzoic Acid?
The molecular weight of 3-Fluorobenzoic Acid is 140.03 g/mol.
Where can I buy 3-Fluorobenzoic Acid?
You can request a quote for 3-Fluorobenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluorobenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.