2-Fluorobenzoic acid
TL;DR: 2-Fluorobenzoic acid (CAS 445-29-4) 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.
2-fluorobenzoic acid
Also Known As: 2-FLUOROBENZOIC ACID, o-Fluorobenzoic acid, Benzoic acid, 2-fluoro-, fluorobenzoic acid, o-Fluorbenzoesaeure
| Molecular Formula | C7H5FO2 |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 1.8 |
| 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 | 445-29-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)F |
| InChIKey | NSTREUWFTAOOKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluorobenzoic acid (CAS 445-29-4), with molecular formula C7H5FO2 and molecular weight 140.03 g/mol. IUPAC: 2-fluorobenzoic acid.
Chemical Property Profile of 2-Fluorobenzoic acid
Property Insights of 2-Fluorobenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluorobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Fluorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-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 2-Fluorobenzoic acid?
The CAS number of 2-Fluorobenzoic acid is 445-29-4.
What is the molecular formula of 2-Fluorobenzoic acid?
The molecular formula of 2-Fluorobenzoic acid is C7H5FO2.
What is the molecular weight of 2-Fluorobenzoic acid?
The molecular weight of 2-Fluorobenzoic acid is 140.03 g/mol.
Where can I buy 2-Fluorobenzoic acid?
You can request a quote for 2-Fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.