3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one
TL;DR: 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one (CAS 15787-87-8) is a chemical compound with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-(4-nitrophenyl)prop-2-en-1-one
Also Known As: 3-chloro-4'-nitroacrylophenone, trans-3-Chloro-4'-nitroacrylophenone, 3-chloro-1-(4-nitrophenyl)prop-2-en-1-one, 3-Chloro-1-(4-nitrophenyl)-2-propen-1-one, 2-Propen-1-one, 3-chloro-1-(4-nitrophenyl)-, (2E)-
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 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 | 211.00362 |
| Heavy Atoms | 14 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 15787-87-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C=CCl)[N+](=O)[O-] |
| InChIKey | ADRDHEFLWUEGCY-UHFFFAOYSA-N |
Product Overview
3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one (CAS 15787-87-8), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 3-chloro-1-(4-nitrophenyl)prop-2-en-1-one.
Chemical Property Profile of 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one
Property Insights of 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one 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-Chloro-1-(4-nitrophenyl)prop-2-en-1-one?
The CAS number of 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one is 15787-87-8.
What is the molecular formula of 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular formula of 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one is C9H6ClNO3.
What is the molecular weight of 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one?
The molecular weight of 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one is 211.00 g/mol.
Where can I buy 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one?
You can request a quote for 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.