2-Propenal, 3-chloro-3-(2-nitrophenyl)-
TL;DR: 2-Propenal, 3-chloro-3-(2-nitrophenyl)- (CAS 68516-50-7) 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-(2-nitrophenyl)prop-2-enal
Also Known As: 2-Propenal, 3-chloro-3-(2-nitrophenyl)-, 3-Chloro-3-(2-nitrophenyl)-2-propenal, 3-Chloro-3-(2-nitrophenyl)acrylaldehyde, EINECS 271-157-2, RefChem:89209
| 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 | 259.0 |
Chemical Identifiers
| CAS Number | 68516-50-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=CC=O)Cl)[N+](=O)[O-] |
| InChIKey | IGKCDUQXBMHKHG-UHFFFAOYSA-N |
Product Overview
2-Propenal, 3-chloro-3-(2-nitrophenyl)- (CAS 68516-50-7), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 3-chloro-3-(2-nitrophenyl)prop-2-enal.
Chemical Property Profile of 2-Propenal, 3-chloro-3-(2-nitrophenyl)-
Property Insights of 2-Propenal, 3-chloro-3-(2-nitrophenyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal, 3-chloro-3-(2-nitrophenyl)-. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenal, 3-chloro-3-(2-nitrophenyl)-. Following Lipinski's Rule of Five, 2-Propenal, 3-chloro-3-(2-nitrophenyl)- 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 2-Propenal, 3-chloro-3-(2-nitrophenyl)-?
The CAS number of 2-Propenal, 3-chloro-3-(2-nitrophenyl)- is 68516-50-7.
What is the molecular formula of 2-Propenal, 3-chloro-3-(2-nitrophenyl)-?
The molecular formula of 2-Propenal, 3-chloro-3-(2-nitrophenyl)- is C9H6ClNO3.
What is the molecular weight of 2-Propenal, 3-chloro-3-(2-nitrophenyl)-?
The molecular weight of 2-Propenal, 3-chloro-3-(2-nitrophenyl)- is 211.00 g/mol.
Where can I buy 2-Propenal, 3-chloro-3-(2-nitrophenyl)-?
You can request a quote for 2-Propenal, 3-chloro-3-(2-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal, 3-chloro-3-(2-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal, 3-chloro-3-(2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.