2-Chloro-3-(4-nitrophenyl)propionaldehyde
TL;DR: 2-Chloro-3-(4-nitrophenyl)propionaldehyde (CAS 98590-89-7) is a chemical compound with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(4-nitrophenyl)propanal
Also Known As: 2-chloro-3-(4-nitrophenyl)propanal, 2-CHLORO-3-(4-NITROPHENYL)PROPIONALDEHYDE, 661-690-2, RefChem:468628
| Molecular Formula | C9H8ClNO3 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 1.9436 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.01927 |
| Heavy Atoms | 14 |
| Complexity | 336.41522 |
Chemical Identifiers
| CAS Number | 98590-89-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C=O)Cl)[N+](=O)[O-] |
Product Overview
2-Chloro-3-(4-nitrophenyl)propionaldehyde (CAS 98590-89-7), with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol. IUPAC: 2-chloro-3-(4-nitrophenyl)propanal.
Chemical Property Profile of 2-Chloro-3-(4-nitrophenyl)propionaldehyde
Property Insights of 2-Chloro-3-(4-nitrophenyl)propionaldehyde
The XLogP value of 1.9436 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-(4-nitrophenyl)propionaldehyde. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-3-(4-nitrophenyl)propionaldehyde. Following Lipinski's Rule of Five, 2-Chloro-3-(4-nitrophenyl)propionaldehyde 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-Chloro-3-(4-nitrophenyl)propionaldehyde?
The CAS number of 2-Chloro-3-(4-nitrophenyl)propionaldehyde is 98590-89-7.
What is the molecular formula of 2-Chloro-3-(4-nitrophenyl)propionaldehyde?
The molecular formula of 2-Chloro-3-(4-nitrophenyl)propionaldehyde is C9H8ClNO3.
What is the molecular weight of 2-Chloro-3-(4-nitrophenyl)propionaldehyde?
The molecular weight of 2-Chloro-3-(4-nitrophenyl)propionaldehyde is 213.02 g/mol.
Where can I buy 2-Chloro-3-(4-nitrophenyl)propionaldehyde?
You can request a quote for 2-Chloro-3-(4-nitrophenyl)propionaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(4-nitrophenyl)propionaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(4-nitrophenyl)propionaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.