Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester
TL;DR: Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester (CAS 62522-68-3) is a chemical compound with molecular formula C10H7ClN2O7 and molecular weight 301.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-oxopropyl) 3,5-dinitrobenzoate
Also Known As: 3,5-Dinitrobenzoic acid chloroacetylmethyl ester, (3-chloro-2-oxopropyl) 3,5-dinitrobenzoate, 3-chloro-2-oxopropyl 3,5-dinitrobenzoate, BENZOIC ACID, 3,5-DINITRO-, CHLOROACETYLMETHYL ESTER, 3-Chloro-2-oxopropyl=3,5-dinitrobenzoate
| Molecular Formula | C10H7ClN2O7 |
|---|---|
| Molecular Weight | 301.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.99417 |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 62522-68-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)OCC(=O)CCl |
| InChIKey | AJVICMKCQIYYBC-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester (CAS 62522-68-3), with molecular formula C10H7ClN2O7 and molecular weight 301.99 g/mol. IUPAC: (3-chloro-2-oxopropyl) 3,5-dinitrobenzoate.
Chemical Property Profile of Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester
Property Insights of Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester has 0 hydrogen bond donor(s) and 7 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, 3,5-dinitro-, chloroacetylmethyl ester?
The CAS number of Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester is 62522-68-3.
What is the molecular formula of Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester?
The molecular formula of Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester is C10H7ClN2O7.
What is the molecular weight of Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester?
The molecular weight of Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester is 301.99 g/mol.
Where can I buy Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester?
You can request a quote for Benzoic acid, 3,5-dinitro-, chloroacetylmethyl 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, 3,5-dinitro-, chloroacetylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,5-dinitro-, chloroacetylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.