2-Chloro-4-nitrobenzyl alcohol
TL;DR: 2-Chloro-4-nitrobenzyl alcohol (CAS 52301-88-9) is a chemical compound with molecular formula C7H6ClNO3 and molecular weight 187.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenyl)methanol
Also Known As: (2-chloro-4-nitrophenyl)methanol, 2-Chloro-4-nitrobenzyl alcohol, 2-chloro-4-nitrobenzylalcohol, Benzenemethanol, 2-chloro-4-nitro-, 2-Chloro-4-nitrobenzenemethanol
| Molecular Formula | C7H6ClNO3 |
|---|---|
| Molecular Weight | 187.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.00362 |
| Heavy Atoms | 12 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 52301-88-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)CO |
| InChIKey | XHIXVZHYFBOAJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-4-nitrobenzyl alcohol (CAS 52301-88-9), with molecular formula C7H6ClNO3 and molecular weight 187.00 g/mol. IUPAC: (2-chloro-4-nitrophenyl)methanol.
Chemical Property Profile of 2-Chloro-4-nitrobenzyl alcohol
Property Insights of 2-Chloro-4-nitrobenzyl alcohol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-4-nitrobenzyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-nitrobenzyl alcohol. Following Lipinski's Rule of Five, 2-Chloro-4-nitrobenzyl alcohol has 1 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 2-Chloro-4-nitrobenzyl alcohol?
The CAS number of 2-Chloro-4-nitrobenzyl alcohol is 52301-88-9.
What is the molecular formula of 2-Chloro-4-nitrobenzyl alcohol?
The molecular formula of 2-Chloro-4-nitrobenzyl alcohol is C7H6ClNO3.
What is the molecular weight of 2-Chloro-4-nitrobenzyl alcohol?
The molecular weight of 2-Chloro-4-nitrobenzyl alcohol is 187.00 g/mol.
Where can I buy 2-Chloro-4-nitrobenzyl alcohol?
You can request a quote for 2-Chloro-4-nitrobenzyl alcohol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-nitrobenzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-nitrobenzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.