Benzene, 1-(1-methylethenyl)-3-nitro-
TL;DR: Benzene, 1-(1-methylethenyl)-3-nitro- (CAS 64416-49-5) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-3-prop-1-en-2-ylbenzene
Also Known As: alpha-Methyl-3-nitrostyrene, Benzene, 1-(1-methylethenyl)-3-nitro-, 1-nitro-3-(isopropenyl)benzene, 1-Isopropenyl-3-nitrobenzene, 1-Nitro-3-isopropenylbenzene
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 2.6279 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 301.80536 |
Chemical Identifiers
| CAS Number | 64416-49-5 |
|---|---|
| SMILES | CC(=C)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
Benzene, 1-(1-methylethenyl)-3-nitro- (CAS 64416-49-5), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-nitro-3-prop-1-en-2-ylbenzene.
Chemical Property Profile of Benzene, 1-(1-methylethenyl)-3-nitro-
Property Insights of Benzene, 1-(1-methylethenyl)-3-nitro-
The XLogP value of 2.6279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(1-methylethenyl)-3-nitro-. With a topological polar surface area (TPSA) of 43.14 Ų, Benzene, 1-(1-methylethenyl)-3-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1-methylethenyl)-3-nitro- has 0 hydrogen bond donor(s) and 2 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-(1-methylethenyl)-3-nitro-?
The CAS number of Benzene, 1-(1-methylethenyl)-3-nitro- is 64416-49-5.
What is the molecular formula of Benzene, 1-(1-methylethenyl)-3-nitro-?
The molecular formula of Benzene, 1-(1-methylethenyl)-3-nitro- is C9H9NO2.
What is the molecular weight of Benzene, 1-(1-methylethenyl)-3-nitro-?
The molecular weight of Benzene, 1-(1-methylethenyl)-3-nitro- is 163.06 g/mol.
Where can I buy Benzene, 1-(1-methylethenyl)-3-nitro-?
You can request a quote for Benzene, 1-(1-methylethenyl)-3-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1-methylethenyl)-3-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1-methylethenyl)-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.