2-溴苯甲酸根离子(1-)
TL;DR: 2-溴苯甲酸根离子(1-) (CAS 16887-76-6) is a chemical compound with molecular formula C7H4BrO2- and molecular weight 198.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴苯甲酸根离子(1-)
2-bromobenzoate
Also Known As: 2-Bromobenzoate, CIS-BROMOBENZOATE, Benzoic acid, 2-bromo-, ion(1-), RefChem:326830
| Molecular Formula | C7H4BrO2- |
|---|---|
| Molecular Weight | 198.94 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.93947 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 16887-76-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])Br |
| InChIKey | XRXMNWGCKISMOH-UHFFFAOYSA-M |
Product Overview
2-溴苯甲酸根离子(1-) (CAS 16887-76-6), with molecular formula C7H4BrO2- and molecular weight 198.94 g/mol. IUPAC: 2-bromobenzoate.
Chemical Property Profile of 2-溴苯甲酸根离子(1-)
Property Insights of 2-溴苯甲酸根离子(1-)
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-溴苯甲酸根离子(1-). With a topological polar surface area (TPSA) of 40.1 Ų, 2-溴苯甲酸根离子(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴苯甲酸根离子(1-) has 0 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 2-溴苯甲酸根离子(1-)?
The CAS number of 2-溴苯甲酸根离子(1-) is 16887-76-6.
What is the molecular formula of 2-溴苯甲酸根离子(1-)?
The molecular formula of 2-溴苯甲酸根离子(1-) is C7H4BrO2-.
What is the molecular weight of 2-溴苯甲酸根离子(1-)?
The molecular weight of 2-溴苯甲酸根离子(1-) is 198.94 g/mol.
Where can I buy 2-溴苯甲酸根离子(1-)?
You can request a quote for 2-溴苯甲酸根离子(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴苯甲酸根离子(1-)?
Yes, KEHONG BIO provides custom synthesis services for 2-溴苯甲酸根离子(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.