3-Chloro-4-methyl-2-nitrobenzoic acid
TL;DR: 3-Chloro-4-methyl-2-nitrobenzoic acid (CAS 708975-20-6) 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.
3-chloro-4-methyl-2-nitrobenzoic acid
Also Known As: 3-chloro-4-methyl-2-nitrobenzoic acid, 3-chloro-4-methyl-2-nitro-benzoic Acid
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.25482 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 416.04745 |
Chemical Identifiers
| CAS Number | 708975-20-6 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C(=O)O)[N+](=O)[O-])Cl |
Product Overview
3-Chloro-4-methyl-2-nitrobenzoic acid (CAS 708975-20-6), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: 3-chloro-4-methyl-2-nitrobenzoic acid.
Chemical Property Profile of 3-Chloro-4-methyl-2-nitrobenzoic acid
Property Insights of 3-Chloro-4-methyl-2-nitrobenzoic acid
The XLogP value of 2.25482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4-methyl-2-nitrobenzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4-methyl-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Chloro-4-methyl-2-nitrobenzoic acid has 1 hydrogen bond donor(s) and 3 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-Chloro-4-methyl-2-nitrobenzoic acid?
The CAS number of 3-Chloro-4-methyl-2-nitrobenzoic acid is 708975-20-6.
What is the molecular formula of 3-Chloro-4-methyl-2-nitrobenzoic acid?
The molecular formula of 3-Chloro-4-methyl-2-nitrobenzoic acid is C8H6ClNO4.
What is the molecular weight of 3-Chloro-4-methyl-2-nitrobenzoic acid?
The molecular weight of 3-Chloro-4-methyl-2-nitrobenzoic acid is 215.00 g/mol.
Where can I buy 3-Chloro-4-methyl-2-nitrobenzoic acid?
You can request a quote for 3-Chloro-4-methyl-2-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4-methyl-2-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4-methyl-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.