Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester
TL;DR: Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester (CAS 193606-98-3) is a chemical compound with molecular formula C13H7ClN2O6 and molecular weight 322.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 4-chloro-3-nitrobenzoate
Also Known As: Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester, (4-nitrophenyl) 4-chloro-3-nitrobenzoate, 4-NITROPHENYL 4-CHLORO-3-NITROBENZOATE, 3-Nitro-4-chlorobenzoic acid 4-nitrophenyl ester, 4-Chloro-3-nitrobenzoic acid 4-nitrophenyl ester
| Molecular Formula | C13H7ClN2O6 |
|---|---|
| Molecular Weight | 322.00 g/mol |
| LogP | 3.3756 |
| Topological Polar Surface Area | 112.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.99927 |
| Heavy Atoms | 22 |
| Complexity | 759.6257 |
Chemical Identifiers
| CAS Number | 193606-98-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester (CAS 193606-98-3), with molecular formula C13H7ClN2O6 and molecular weight 322.00 g/mol. IUPAC: (4-nitrophenyl) 4-chloro-3-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester
Property Insights of Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester
The XLogP value of 3.3756 indicates that Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester has 0 hydrogen bond donor(s) and 6 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, 4-chloro-3-nitro-, 4-nitrophenyl ester?
The CAS number of Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester is 193606-98-3.
What is the molecular formula of Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester?
The molecular formula of Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester is C13H7ClN2O6.
What is the molecular weight of Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester?
The molecular weight of Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester is 322.00 g/mol.
Where can I buy Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester?
You can request a quote for Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl 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, 4-chloro-3-nitro-, 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-3-nitro-, 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.