1,2-Dichloro-3-(4-nitrobenzyl)benzene
TL;DR: 1,2-Dichloro-3-(4-nitrobenzyl)benzene (CAS 697762-18-8) is a chemical compound with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-3-[(4-nitrophenyl)methyl]benzene
Also Known As: 4-(2,3-Dichlorobenzyl)nitrobenzene, EINECS 263-837-2, 1,2-dichloro-3-(4-nitrobenzyl)benzene, 1-(4-nitrobenzyl)-2,3-dichlorobenzene, 1,2-dichloro-3-[(4-nitrophenyl)methyl]benzene
| Molecular Formula | C13H9Cl2NO2 |
|---|---|
| Molecular Weight | 281.00 g/mol |
| LogP | 4.4924 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.00104 |
| Heavy Atoms | 18 |
| Complexity | 582.04517 |
Chemical Identifiers
| CAS Number | 697762-18-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)CC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
1,2-Dichloro-3-(4-nitrobenzyl)benzene (CAS 697762-18-8), with molecular formula C13H9Cl2NO2 and molecular weight 281.00 g/mol. IUPAC: 1,2-dichloro-3-[(4-nitrophenyl)methyl]benzene.
Chemical Property Profile of 1,2-Dichloro-3-(4-nitrobenzyl)benzene
Property Insights of 1,2-Dichloro-3-(4-nitrobenzyl)benzene
The XLogP value of 4.4924 indicates that 1,2-Dichloro-3-(4-nitrobenzyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1,2-Dichloro-3-(4-nitrobenzyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-3-(4-nitrobenzyl)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 1,2-Dichloro-3-(4-nitrobenzyl)benzene?
The CAS number of 1,2-Dichloro-3-(4-nitrobenzyl)benzene is 697762-18-8.
What is the molecular formula of 1,2-Dichloro-3-(4-nitrobenzyl)benzene?
The molecular formula of 1,2-Dichloro-3-(4-nitrobenzyl)benzene is C13H9Cl2NO2.
What is the molecular weight of 1,2-Dichloro-3-(4-nitrobenzyl)benzene?
The molecular weight of 1,2-Dichloro-3-(4-nitrobenzyl)benzene is 281.00 g/mol.
Where can I buy 1,2-Dichloro-3-(4-nitrobenzyl)benzene?
You can request a quote for 1,2-Dichloro-3-(4-nitrobenzyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-3-(4-nitrobenzyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-3-(4-nitrobenzyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.