Phenyl 2-chloro-4-nitrobenzoate
TL;DR: Phenyl 2-chloro-4-nitrobenzoate (CAS 72090-58-5) 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.
phenyl 2-chloro-4-nitrobenzoate
Also Known As: phenyl 2-chloro-4-nitrobenzoate
| Molecular Formula | C13H8ClNO4 |
|---|---|
| Molecular Weight | 277.01 g/mol |
| LogP | 3.4674 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0142 |
| Heavy Atoms | 19 |
| Complexity | 627.7953 |
Chemical Identifiers
| CAS Number | 72090-58-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl |
Product Overview
Phenyl 2-chloro-4-nitrobenzoate (CAS 72090-58-5), with molecular formula C13H8ClNO4 and molecular weight 277.01 g/mol. IUPAC: phenyl 2-chloro-4-nitrobenzoate.
Chemical Property Profile of Phenyl 2-chloro-4-nitrobenzoate
Property Insights of Phenyl 2-chloro-4-nitrobenzoate
The XLogP value of 3.4674 indicates that Phenyl 2-chloro-4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, Phenyl 2-chloro-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 Phenyl 2-chloro-4-nitrobenzoate?
The CAS number of Phenyl 2-chloro-4-nitrobenzoate is 72090-58-5.
What is the molecular formula of Phenyl 2-chloro-4-nitrobenzoate?
The molecular formula of Phenyl 2-chloro-4-nitrobenzoate is C13H8ClNO4.
What is the molecular weight of Phenyl 2-chloro-4-nitrobenzoate?
The molecular weight of Phenyl 2-chloro-4-nitrobenzoate is 277.01 g/mol.
Where can I buy Phenyl 2-chloro-4-nitrobenzoate?
You can request a quote for Phenyl 2-chloro-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.