Benzoic acid, 4-fluoro-, 3-nitrophenyl ester
TL;DR: Benzoic acid, 4-fluoro-, 3-nitrophenyl ester (CAS 2710-17-0) is a chemical compound with molecular formula C13H8FNO4 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl) 4-fluorobenzoate
Also Known As: (3-nitrophenyl) 4-fluorobenzoate, 3-NITROPHENYL 4-FLUOROBENZOATE, Benzoic acid, 4-fluoro-, 3-nitrophenyl ester
| Molecular Formula | C13H8FNO4 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 2.9531 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.04373 |
| Heavy Atoms | 19 |
| Complexity | 624.7953 |
Chemical Identifiers
| CAS Number | 2710-17-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-] |
Product Overview
Benzoic acid, 4-fluoro-, 3-nitrophenyl ester (CAS 2710-17-0), with molecular formula C13H8FNO4 and molecular weight 261.04 g/mol. IUPAC: (3-nitrophenyl) 4-fluorobenzoate.
Chemical Property Profile of Benzoic acid, 4-fluoro-, 3-nitrophenyl ester
Property Insights of Benzoic acid, 4-fluoro-, 3-nitrophenyl ester
The XLogP value of 2.9531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-fluoro-, 3-nitrophenyl ester. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-fluoro-, 3-nitrophenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-fluoro-, 3-nitrophenyl ester 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 Benzoic acid, 4-fluoro-, 3-nitrophenyl ester?
The CAS number of Benzoic acid, 4-fluoro-, 3-nitrophenyl ester is 2710-17-0.
What is the molecular formula of Benzoic acid, 4-fluoro-, 3-nitrophenyl ester?
The molecular formula of Benzoic acid, 4-fluoro-, 3-nitrophenyl ester is C13H8FNO4.
What is the molecular weight of Benzoic acid, 4-fluoro-, 3-nitrophenyl ester?
The molecular weight of Benzoic acid, 4-fluoro-, 3-nitrophenyl ester is 261.04 g/mol.
Where can I buy Benzoic acid, 4-fluoro-, 3-nitrophenyl ester?
You can request a quote for Benzoic acid, 4-fluoro-, 3-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-fluoro-, 3-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-fluoro-, 3-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.