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[Chloro(nitro)methyl]benzene
TL;DR: [Chloro(nitro)methyl]benzene (CAS 25567-68-4) is a chemical compound with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[chloro(nitro)methyl]benzene
Also Known As: nitrobenzylchlorid, Chloronitrotoluene, [chloro(nitro)methyl]benzene, (chloro-nitromethyl)benzene, Benzene, chloromethylnitro-
| Molecular Formula | C7H6ClNO2 |
|---|---|
| Molecular Weight | 171.01 g/mol |
| LogP | 2.2007 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.00871 |
| Heavy Atoms | 11 |
| Complexity | 249.8773 |
Chemical Identifiers
| CAS Number | 25567-68-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C([N+](=O)[O-])Cl |
Product Overview
[Chloro(nitro)methyl]benzene (CAS 25567-68-4), with molecular formula C7H6ClNO2 and molecular weight 171.01 g/mol. IUPAC: [chloro(nitro)methyl]benzene.
Chemical Property Profile of [Chloro(nitro)methyl]benzene
Property Insights of [Chloro(nitro)methyl]benzene
The XLogP value of 2.2007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [Chloro(nitro)methyl]benzene. With a topological polar surface area (TPSA) of 43.14 Ų, [Chloro(nitro)methyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [Chloro(nitro)methyl]benzene 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 [Chloro(nitro)methyl]benzene?
The CAS number of [Chloro(nitro)methyl]benzene is 25567-68-4.
What is the molecular formula of [Chloro(nitro)methyl]benzene?
The molecular formula of [Chloro(nitro)methyl]benzene is C7H6ClNO2.
What is the molecular weight of [Chloro(nitro)methyl]benzene?
The molecular weight of [Chloro(nitro)methyl]benzene is 171.01 g/mol.
Where can I buy [Chloro(nitro)methyl]benzene?
You can request a quote for [Chloro(nitro)methyl]benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [Chloro(nitro)methyl]benzene?
Yes, KEHONG BIO provides custom synthesis services for [Chloro(nitro)methyl]benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.