5-Chloro-2-nitrobenzoyl chloride
TL;DR: 5-Chloro-2-nitrobenzoyl chloride (CAS 41994-44-9) is a chemical compound with molecular formula C7H3Cl2NO3 and molecular weight 218.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-nitrobenzoyl chloride
Also Known As: 5-chloro-2-nitrobenzoyl chloride, 5-chloro-2-nitro-benzoyl Chloride, 5-chloro-2-nitrobenzoylchloride, 2-nitro-5-chlorobenzoic Acid Chloride, 5-chloro-2-nitrobenzoic acid chloride
| Molecular Formula | C7H3Cl2NO3 |
|---|---|
| Molecular Weight | 218.95 g/mol |
| LogP | 2.6272 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.949 |
| Heavy Atoms | 13 |
| Complexity | 378.00046 |
Chemical Identifiers
| CAS Number | 41994-44-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)C(=O)Cl)[N+](=O)[O-] |
Product Overview
5-Chloro-2-nitrobenzoyl chloride (CAS 41994-44-9), with molecular formula C7H3Cl2NO3 and molecular weight 218.95 g/mol. IUPAC: 5-chloro-2-nitrobenzoyl chloride.
Chemical Property Profile of 5-Chloro-2-nitrobenzoyl chloride
Property Insights of 5-Chloro-2-nitrobenzoyl chloride
The XLogP value of 2.6272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-nitrobenzoyl chloride. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-nitrobenzoyl chloride. Following Lipinski's Rule of Five, 5-Chloro-2-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 5-Chloro-2-nitrobenzoyl chloride?
The CAS number of 5-Chloro-2-nitrobenzoyl chloride is 41994-44-9.
What is the molecular formula of 5-Chloro-2-nitrobenzoyl chloride?
The molecular formula of 5-Chloro-2-nitrobenzoyl chloride is C7H3Cl2NO3.
What is the molecular weight of 5-Chloro-2-nitrobenzoyl chloride?
The molecular weight of 5-Chloro-2-nitrobenzoyl chloride is 218.95 g/mol.
Where can I buy 5-Chloro-2-nitrobenzoyl chloride?
You can request a quote for 5-Chloro-2-nitrobenzoyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-nitrobenzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-nitrobenzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.