Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester
TL;DR: Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester (CAS 63105-60-2) is a chemical compound with molecular formula C8H5Cl2NO4 and molecular weight 248.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,3-dichloro-6-nitrobenzoate
Also Known As: Methyl 2,3-dichloro-6-nitrobenzoate, methyl-2,3-dichloro-6-nitrobenzoate, Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester, 2,3-Dichloro-6-nitrobenzoic acid methyl ester, EINECS 263-860-8
| Molecular Formula | C8H5Cl2NO4 |
|---|---|
| Molecular Weight | 248.96 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.95956 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 63105-60-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1Cl)Cl)[N+](=O)[O-] |
| InChIKey | XWTXRZUNNXJKKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester (CAS 63105-60-2), with molecular formula C8H5Cl2NO4 and molecular weight 248.96 g/mol. IUPAC: methyl 2,3-dichloro-6-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester
Property Insights of Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2,3-dichloro-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, 2,3-dichloro-6-nitro-, methyl ester?
The CAS number of Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester is 63105-60-2.
What is the molecular formula of Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester?
The molecular formula of Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester is C8H5Cl2NO4.
What is the molecular weight of Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester?
The molecular weight of Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester is 248.96 g/mol.
Where can I buy Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester?
You can request a quote for Benzoic acid, 2,3-dichloro-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, 2,3-dichloro-6-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,3-dichloro-6-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.