3-Bromobenzoic acid
TL;DR: 3-Bromobenzoic acid (CAS 585-76-2) is a chemical compound with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromobenzoic acid
Also Known As: 3-BROMOBENZOIC ACID, m-Bromobenzoic acid, Benzoic acid, 3-bromo-, 3-BROMBENZOIC ACID, null
| Molecular Formula | C7H5BrO2 |
|---|---|
| Molecular Weight | 199.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.9473 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 585-76-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C(=O)O |
| InChIKey | VOIZNVUXCQLQHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromobenzoic acid (CAS 585-76-2), with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol. IUPAC: 3-bromobenzoic acid.
Chemical Property Profile of 3-Bromobenzoic acid
Property Insights of 3-Bromobenzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromobenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Bromobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobenzoic acid has 1 hydrogen bond donor(s) and 2 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-Bromobenzoic acid?
The CAS number of 3-Bromobenzoic acid is 585-76-2.
What is the molecular formula of 3-Bromobenzoic acid?
The molecular formula of 3-Bromobenzoic acid is C7H5BrO2.
What is the molecular weight of 3-Bromobenzoic acid?
The molecular weight of 3-Bromobenzoic acid is 199.95 g/mol.
Where can I buy 3-Bromobenzoic acid?
You can request a quote for 3-Bromobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.