Benzoic acid, p-nitro-, chloroacetylmethyl ester
TL;DR: Benzoic acid, p-nitro-, chloroacetylmethyl ester (CAS 62522-67-2) is a chemical compound with molecular formula C10H8ClNO5 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-oxopropyl) 4-nitrobenzoate
Also Known As: p-Nitrobenzoic acid chloroacetyl methyl ester, (3-chloro-2-oxopropyl) 4-nitrobenzoate, 3-chloro-2-oxopropyl 4-nitrobenzoate, BENZOIC ACID, p-NITRO-, CHLOROACETYLMETHYL ESTER, 2-Propanone, 1-chloro-3-[(4-nitrobenzoyl)oxy]-
| Molecular Formula | C10H8ClNO5 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.0091 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 62522-67-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(=O)CCl)[N+](=O)[O-] |
| InChIKey | VKOAHTIIUBWKOP-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-nitro-, chloroacetylmethyl ester (CAS 62522-67-2), with molecular formula C10H8ClNO5 and molecular weight 257.01 g/mol. IUPAC: (3-chloro-2-oxopropyl) 4-nitrobenzoate.
Chemical Property Profile of Benzoic acid, p-nitro-, chloroacetylmethyl ester
Property Insights of Benzoic acid, p-nitro-, chloroacetylmethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, p-nitro-, chloroacetylmethyl ester. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-nitro-, chloroacetylmethyl ester. Following Lipinski's Rule of Five, Benzoic acid, p-nitro-, chloroacetylmethyl ester has 0 hydrogen bond donor(s) and 5 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, p-nitro-, chloroacetylmethyl ester?
The CAS number of Benzoic acid, p-nitro-, chloroacetylmethyl ester is 62522-67-2.
What is the molecular formula of Benzoic acid, p-nitro-, chloroacetylmethyl ester?
The molecular formula of Benzoic acid, p-nitro-, chloroacetylmethyl ester is C10H8ClNO5.
What is the molecular weight of Benzoic acid, p-nitro-, chloroacetylmethyl ester?
The molecular weight of Benzoic acid, p-nitro-, chloroacetylmethyl ester is 257.01 g/mol.
Where can I buy Benzoic acid, p-nitro-, chloroacetylmethyl ester?
You can request a quote for Benzoic acid, p-nitro-, 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, p-nitro-, chloroacetylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-nitro-, chloroacetylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.