4-Fluoro-3-nitrobenzoyl chloride
TL;DR: 4-Fluoro-3-nitrobenzoyl chloride (CAS 400-94-2) is a chemical compound with molecular formula C7H3ClFNO3 and molecular weight 202.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-3-nitrobenzoyl chloride
Also Known As: 4-fluoro-3-nitrobenzoyl chloride, Demexiptiline, 3-NITRO-4-FLUOROBENZOYL CHLORIDE, 4-fluoro-3-nitro-benzoyl Chloride, 4-fluoro-3-nitrobenzoylchloride
| Molecular Formula | C7H3ClFNO3 |
|---|---|
| Molecular Weight | 202.98 g/mol |
| LogP | 2.1129 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.97855 |
| Heavy Atoms | 13 |
| Complexity | 380.00046 |
Chemical Identifiers
| CAS Number | 400-94-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)Cl)[N+](=O)[O-])F |
Product Overview
4-Fluoro-3-nitrobenzoyl chloride (CAS 400-94-2), with molecular formula C7H3ClFNO3 and molecular weight 202.98 g/mol. IUPAC: 4-fluoro-3-nitrobenzoyl chloride.
Chemical Property Profile of 4-Fluoro-3-nitrobenzoyl chloride
Property Insights of 4-Fluoro-3-nitrobenzoyl chloride
The XLogP value of 2.1129 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-3-nitrobenzoyl chloride. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-3-nitrobenzoyl chloride. Following Lipinski's Rule of Five, 4-Fluoro-3-nitrobenzoyl chloride has 0 hydrogen bond donor(s) and 3 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 4-Fluoro-3-nitrobenzoyl chloride?
The CAS number of 4-Fluoro-3-nitrobenzoyl chloride is 400-94-2.
What is the molecular formula of 4-Fluoro-3-nitrobenzoyl chloride?
The molecular formula of 4-Fluoro-3-nitrobenzoyl chloride is C7H3ClFNO3.
What is the molecular weight of 4-Fluoro-3-nitrobenzoyl chloride?
The molecular weight of 4-Fluoro-3-nitrobenzoyl chloride is 202.98 g/mol.
Where can I buy 4-Fluoro-3-nitrobenzoyl chloride?
You can request a quote for 4-Fluoro-3-nitrobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-3-nitrobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-3-nitrobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.