2-Chlorophenyl 4-nitrobenzoate
TL;DR: 2-Chlorophenyl 4-nitrobenzoate (CAS 85965-91-9) is a chemical compound with molecular formula C13H8ClNO4 and molecular weight 277.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 4-nitrobenzoate
Also Known As: 2-chlorophenyl 4-nitrobenzoate, (2-chlorophenyl) 4-nitrobenzoate, 4-Nitrobenzoic acid, 2-chlorophenyl ester, Benzoic acid, 4-nitro-,2-chlorophenyl ester, 4-Nitrobenzoic acid 2-chlorophenyl ester
| Molecular Formula | C13H8ClNO4 |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0142 |
| Heavy Atoms | 19 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 85965-91-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | OFIWZIJKZNBSHV-UHFFFAOYSA-N |
Product Overview
2-Chlorophenyl 4-nitrobenzoate (CAS 85965-91-9), with molecular formula C13H8ClNO4 and molecular weight 277.01 g/mol. IUPAC: (2-chlorophenyl) 4-nitrobenzoate.
Chemical Property Profile of 2-Chlorophenyl 4-nitrobenzoate
Property Insights of 2-Chlorophenyl 4-nitrobenzoate
The XLogP value of 3.7 indicates that 2-Chlorophenyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chlorophenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-Chlorophenyl 4-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 2-Chlorophenyl 4-nitrobenzoate?
The CAS number of 2-Chlorophenyl 4-nitrobenzoate is 85965-91-9.
What is the molecular formula of 2-Chlorophenyl 4-nitrobenzoate?
The molecular formula of 2-Chlorophenyl 4-nitrobenzoate is C13H8ClNO4.
What is the molecular weight of 2-Chlorophenyl 4-nitrobenzoate?
The molecular weight of 2-Chlorophenyl 4-nitrobenzoate is 277.01 g/mol.
Where can I buy 2-Chlorophenyl 4-nitrobenzoate?
You can request a quote for 2-Chlorophenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chlorophenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorophenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.