Benzoic acid, 2-chloro-6-nitro-, methyl ester
TL;DR: Benzoic acid, 2-chloro-6-nitro-, methyl ester (CAS 80563-87-7) is a chemical compound with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-6-nitrobenzoate
Also Known As: Methyl 2-chloro-6-nitrobenzoate, 2-Chloro-6-Nitro-Benzoic Acid, Methyl Ester, Methyl2-chloro-6-nitrobenzoate, 2-Chloro-6-nitrobenzoic acid methyl ester, Benzoic acid, 2-chloro-6-nitro-, methyl ester
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 80563-87-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC=C1Cl)[N+](=O)[O-] |
| InChIKey | USGSGFWEGZVPNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-chloro-6-nitro-, methyl ester (CAS 80563-87-7), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: methyl 2-chloro-6-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-6-nitro-, methyl ester
Property Insights of Benzoic acid, 2-chloro-6-nitro-, methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-chloro-6-nitro-, methyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-chloro-6-nitro-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-6-nitro-, methyl ester has 0 hydrogen bond donor(s) and 4 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 Benzoic acid, 2-chloro-6-nitro-, methyl ester?
The CAS number of Benzoic acid, 2-chloro-6-nitro-, methyl ester is 80563-87-7.
What is the molecular formula of Benzoic acid, 2-chloro-6-nitro-, methyl ester?
The molecular formula of Benzoic acid, 2-chloro-6-nitro-, methyl ester is C8H6ClNO4.
What is the molecular weight of Benzoic acid, 2-chloro-6-nitro-, methyl ester?
The molecular weight of Benzoic acid, 2-chloro-6-nitro-, methyl ester is 215.00 g/mol.
Where can I buy Benzoic acid, 2-chloro-6-nitro-, methyl ester?
You can request a quote for Benzoic acid, 2-chloro-6-nitro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-chloro-6-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-6-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.