Methyl 3-chloro-5-nitrobenzoate
TL;DR: Methyl 3-chloro-5-nitrobenzoate (CAS 36138-28-0) 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 3-chloro-5-nitrobenzoate
Also Known As: methyl 3-chloro-5-nitrobenzoate, methyl 5-chloro-3-nitrobenzoate, METHYL3-CHLORO-5-NITROBENZOATE, methyl 3-chloro-5-nitro-benzoate, 3-chloro-5-nitrobenzoic acid methyl ester
| Molecular Formula | C8H6ClNO4 |
|---|---|
| Molecular Weight | 215.00 g/mol |
| LogP | 2.0348 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.99854 |
| Heavy Atoms | 14 |
| Complexity | 390.9277 |
Chemical Identifiers
| CAS Number | 36138-28-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)Cl)[N+](=O)[O-] |
Product Overview
Methyl 3-chloro-5-nitrobenzoate (CAS 36138-28-0), with molecular formula C8H6ClNO4 and molecular weight 215.00 g/mol. IUPAC: methyl 3-chloro-5-nitrobenzoate.
Chemical Property Profile of Methyl 3-chloro-5-nitrobenzoate
Property Insights of Methyl 3-chloro-5-nitrobenzoate
The XLogP value of 2.0348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-5-nitrobenzoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-chloro-5-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 3-chloro-5-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 3-chloro-5-nitrobenzoate?
The CAS number of Methyl 3-chloro-5-nitrobenzoate is 36138-28-0.
What is the molecular formula of Methyl 3-chloro-5-nitrobenzoate?
The molecular formula of Methyl 3-chloro-5-nitrobenzoate is C8H6ClNO4.
What is the molecular weight of Methyl 3-chloro-5-nitrobenzoate?
The molecular weight of Methyl 3-chloro-5-nitrobenzoate is 215.00 g/mol.
Where can I buy Methyl 3-chloro-5-nitrobenzoate?
You can request a quote for Methyl 3-chloro-5-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-5-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-5-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.