Methyl 4-chloro-2-nitrobenzoate
TL;DR: Methyl 4-chloro-2-nitrobenzoate (CAS 42087-80-9) 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 4-chloro-2-nitrobenzoate
Also Known As: METHYL 4-CHLORO-2-NITROBENZOATE, 4-Chloro-2-nitrobenzoic acid methyl ester, METHYL4-CHLORO-2-NITROBENZOATE, 2-Nitro-4-chlorobenzoic acid methyl ester, methyl 4-chloro-2-nitro-benzoate
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.4 |
| 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 | 42087-80-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | JWOSXVMUUBWGOL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-chloro-2-nitrobenzoate (CAS 42087-80-9), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: methyl 4-chloro-2-nitrobenzoate.
Chemical Property Profile of Methyl 4-chloro-2-nitrobenzoate
Property Insights of Methyl 4-chloro-2-nitrobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chloro-2-nitrobenzoate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-chloro-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 4-chloro-2-nitrobenzoate 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 Methyl 4-chloro-2-nitrobenzoate?
The CAS number of Methyl 4-chloro-2-nitrobenzoate is 42087-80-9.
What is the molecular formula of Methyl 4-chloro-2-nitrobenzoate?
The molecular formula of Methyl 4-chloro-2-nitrobenzoate is C8H6ClNO4.
What is the molecular weight of Methyl 4-chloro-2-nitrobenzoate?
The molecular weight of Methyl 4-chloro-2-nitrobenzoate is 215.00 g/mol.
Where can I buy Methyl 4-chloro-2-nitrobenzoate?
You can request a quote for Methyl 4-chloro-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chloro-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chloro-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.