3-溴-2-氯苯甲酸
TL;DR: 3-溴-2-氯苯甲酸 (CAS 56961-27-4) is a chemical compound with molecular formula C7H4BrClO2 and molecular weight 233.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-2-氯苯甲酸
3-bromo-2-chlorobenzoic acid
Also Known As: 3-bromo-2-chlorobenzoic acid, 3-Bromo-2-chlorobenzoicacid, 2-bromoisonicotinic acid, 2-Chloro-3-bromobenzoic acid, 3-bromo-2-chloro-benzoic Acid
| Molecular Formula | C7H4BrClO2 |
|---|---|
| Molecular Weight | 233.91 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.90833 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 56961-27-4 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Br)Cl)C(=O)O |
| InChIKey | LNURMIDMOXCNEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴-2-氯苯甲酸 (CAS 56961-27-4), with molecular formula C7H4BrClO2 and molecular weight 233.91 g/mol. IUPAC: 3-bromo-2-chlorobenzoic acid.
Chemical Property Profile of 3-溴-2-氯苯甲酸
Property Insights of 3-溴-2-氯苯甲酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴-2-氯苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 3-溴-2-氯苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴-2-氯苯甲酸 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-溴-2-氯苯甲酸?
The CAS number of 3-溴-2-氯苯甲酸 is 56961-27-4.
What is the molecular formula of 3-溴-2-氯苯甲酸?
The molecular formula of 3-溴-2-氯苯甲酸 is C7H4BrClO2.
What is the molecular weight of 3-溴-2-氯苯甲酸?
The molecular weight of 3-溴-2-氯苯甲酸 is 233.91 g/mol.
Where can I buy 3-溴-2-氯苯甲酸?
You can request a quote for 3-溴-2-氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴-2-氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-2-氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.