3-Nitrobenzeneacetyl chloride
TL;DR: 3-Nitrobenzeneacetyl chloride (CAS 38411-41-5) is a chemical compound with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitrophenyl)acetyl chloride
Also Known As: 2-(3-nitrophenyl)acetyl Chloride, 3-Nitrobenzeneacetyl chloride, Benzeneacetyl chloride, 3-nitro-, Benzeneacetylchloride,3-nitro-, (3-Nitro-phenyl)-acetyl chloride
| Molecular Formula | C8H6ClNO3 |
|---|---|
| Molecular Weight | 199.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.00362 |
| Heavy Atoms | 13 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 38411-41-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)Cl |
| InChIKey | BOEGXSJZNHRKRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrobenzeneacetyl chloride (CAS 38411-41-5), with molecular formula C8H6ClNO3 and molecular weight 199.00 g/mol. IUPAC: 2-(3-nitrophenyl)acetyl chloride.
Chemical Property Profile of 3-Nitrobenzeneacetyl chloride
Property Insights of 3-Nitrobenzeneacetyl chloride
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrobenzeneacetyl chloride. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzeneacetyl chloride. Following Lipinski's Rule of Five, 3-Nitrobenzeneacetyl 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 3-Nitrobenzeneacetyl chloride?
The CAS number of 3-Nitrobenzeneacetyl chloride is 38411-41-5.
What is the molecular formula of 3-Nitrobenzeneacetyl chloride?
The molecular formula of 3-Nitrobenzeneacetyl chloride is C8H6ClNO3.
What is the molecular weight of 3-Nitrobenzeneacetyl chloride?
The molecular weight of 3-Nitrobenzeneacetyl chloride is 199.00 g/mol.
Where can I buy 3-Nitrobenzeneacetyl chloride?
You can request a quote for 3-Nitrobenzeneacetyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzeneacetyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzeneacetyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.