Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-
TL;DR: Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- (CAS 22013-88-3) 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.
1-(2-chloro-2-nitroethenyl)-4-methoxybenzene
Also Known As: 1-(2-chloro-2-nitrovinyl)-4-methoxybenzene, Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-, 1-(2-chloro-2-nitroethenyl)-4-methoxybenzene, Benzene,1-(2-chloro-2-nitroethenyl)-4-methoxy-
| Molecular Formula | C9H8ClNO3 |
|---|---|
| Molecular Weight | 213.02 g/mol |
| LogP | 2.5091 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.01927 |
| Heavy Atoms | 14 |
| Complexity | 358.82474 |
Chemical Identifiers
| CAS Number | 22013-88-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C([N+](=O)[O-])Cl |
Product Overview
Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- (CAS 22013-88-3), with molecular formula C9H8ClNO3 and molecular weight 213.02 g/mol. IUPAC: 1-(2-chloro-2-nitroethenyl)-4-methoxybenzene.
Chemical Property Profile of Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-
Property Insights of Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-
The XLogP value of 2.5091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-. With a topological polar surface area (TPSA) of 52.37 Ų, Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- 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 Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-?
The CAS number of Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- is 22013-88-3.
What is the molecular formula of Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-?
The molecular formula of Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- is C9H8ClNO3.
What is the molecular weight of Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-?
The molecular weight of Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- is 213.02 g/mol.
Where can I buy Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-?
You can request a quote for Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(2-chloro-2-nitroethenyl)-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.