3-Chloro-3-(4-nitrophenyl)-2-propenal
TL;DR: 3-Chloro-3-(4-nitrophenyl)-2-propenal (CAS 2888-10-0) 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-3-(4-nitrophenyl)prop-2-enal
Also Known As: 3-Chloro-3-(4-nitrophenyl)-2-propenal, 3-chloro-3-(4-nitrophenyl)prop-2-enal, 2-Propenal, 3-chloro-3-(4-nitrophenyl)-, (Z)-, 3-CHLORO-3-(4-NITROPHENYL)ACRYLALDEHYDE, RefChem:278227
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 2.1 |
| 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 | 2888-10-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC=O)Cl)[N+](=O)[O-] |
| InChIKey | KVPVZOJJVXTLKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-3-(4-nitrophenyl)-2-propenal (CAS 2888-10-0), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 3-chloro-3-(4-nitrophenyl)prop-2-enal.
Chemical Property Profile of 3-Chloro-3-(4-nitrophenyl)-2-propenal
Property Insights of 3-Chloro-3-(4-nitrophenyl)-2-propenal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-3-(4-nitrophenyl)-2-propenal. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-3-(4-nitrophenyl)-2-propenal. Following Lipinski's Rule of Five, 3-Chloro-3-(4-nitrophenyl)-2-propenal 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-3-(4-nitrophenyl)-2-propenal?
The CAS number of 3-Chloro-3-(4-nitrophenyl)-2-propenal is 2888-10-0.
What is the molecular formula of 3-Chloro-3-(4-nitrophenyl)-2-propenal?
The molecular formula of 3-Chloro-3-(4-nitrophenyl)-2-propenal is C9H6ClNO3.
What is the molecular weight of 3-Chloro-3-(4-nitrophenyl)-2-propenal?
The molecular weight of 3-Chloro-3-(4-nitrophenyl)-2-propenal is 211.00 g/mol.
Where can I buy 3-Chloro-3-(4-nitrophenyl)-2-propenal?
You can request a quote for 3-Chloro-3-(4-nitrophenyl)-2-propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-3-(4-nitrophenyl)-2-propenal?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-3-(4-nitrophenyl)-2-propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.