3-(4-nitrophenyl)prop-2-enoyl Chloride
TL;DR: 3-(4-nitrophenyl)prop-2-enoyl Chloride (CAS 22440-58-0) 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-(4-nitrophenyl)prop-2-enoyl chloride
Also Known As: 4-nitrocinnamoyl chloride, 3-(4-nitrophenyl)prop-2-enoyl Chloride, 2-Propenoyl chloride, 3-(4-nitrophenyl)-, (2E)-3-(4-nitrophenyl)acryloyl chloride, (E)-3-(4-nitrophenyl)prop-2-enoyl chloride
| Molecular Formula | C9H6ClNO3 |
|---|---|
| Molecular Weight | 211.00 g/mol |
| LogP | 3.1 |
| 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 | 22440-58-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)Cl)[N+](=O)[O-] |
| InChIKey | RUPXNPWALFDXJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-nitrophenyl)prop-2-enoyl Chloride (CAS 22440-58-0), with molecular formula C9H6ClNO3 and molecular weight 211.00 g/mol. IUPAC: 3-(4-nitrophenyl)prop-2-enoyl chloride.
Chemical Property Profile of 3-(4-nitrophenyl)prop-2-enoyl Chloride
Property Insights of 3-(4-nitrophenyl)prop-2-enoyl Chloride
The XLogP value of 3.1 indicates that 3-(4-nitrophenyl)prop-2-enoyl Chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)prop-2-enoyl Chloride. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)prop-2-enoyl 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-(4-nitrophenyl)prop-2-enoyl Chloride?
The CAS number of 3-(4-nitrophenyl)prop-2-enoyl Chloride is 22440-58-0.
What is the molecular formula of 3-(4-nitrophenyl)prop-2-enoyl Chloride?
The molecular formula of 3-(4-nitrophenyl)prop-2-enoyl Chloride is C9H6ClNO3.
What is the molecular weight of 3-(4-nitrophenyl)prop-2-enoyl Chloride?
The molecular weight of 3-(4-nitrophenyl)prop-2-enoyl Chloride is 211.00 g/mol.
Where can I buy 3-(4-nitrophenyl)prop-2-enoyl Chloride?
You can request a quote for 3-(4-nitrophenyl)prop-2-enoyl Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-nitrophenyl)prop-2-enoyl Chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)prop-2-enoyl Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.