2-Chloro-alpha-(nitromethyl)benzyl alcohol
TL;DR: 2-Chloro-alpha-(nitromethyl)benzyl alcohol (CAS 85536-83-0) is a chemical compound with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2-nitroethanol
Also Known As: 1-(2-chlorophenyl)-2-nitroethanol, 2-Chloro-alpha-(nitromethyl)benzyl alcohol, KST-1B9229, 1-(2-chlorophenyl)-2-nitroethan-1-ol, 1-(2-chlorophenyl)-2-nitro-ethanol
| Molecular Formula | C8H8ClNO3 |
|---|---|
| Molecular Weight | 201.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.01927 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 85536-83-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(C[N+](=O)[O-])O)Cl |
| InChIKey | NSILZMQANUEUBT-UHFFFAOYSA-N |
Product Overview
2-Chloro-alpha-(nitromethyl)benzyl alcohol (CAS 85536-83-0), with molecular formula C8H8ClNO3 and molecular weight 201.02 g/mol. IUPAC: 1-(2-chlorophenyl)-2-nitroethanol.
Chemical Property Profile of 2-Chloro-alpha-(nitromethyl)benzyl alcohol
Property Insights of 2-Chloro-alpha-(nitromethyl)benzyl alcohol
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-alpha-(nitromethyl)benzyl alcohol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-alpha-(nitromethyl)benzyl alcohol. Following Lipinski's Rule of Five, 2-Chloro-alpha-(nitromethyl)benzyl 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-alpha-(nitromethyl)benzyl alcohol?
The CAS number of 2-Chloro-alpha-(nitromethyl)benzyl alcohol is 85536-83-0.
What is the molecular formula of 2-Chloro-alpha-(nitromethyl)benzyl alcohol?
The molecular formula of 2-Chloro-alpha-(nitromethyl)benzyl alcohol is C8H8ClNO3.
What is the molecular weight of 2-Chloro-alpha-(nitromethyl)benzyl alcohol?
The molecular weight of 2-Chloro-alpha-(nitromethyl)benzyl alcohol is 201.02 g/mol.
Where can I buy 2-Chloro-alpha-(nitromethyl)benzyl alcohol?
You can request a quote for 2-Chloro-alpha-(nitromethyl)benzyl 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-alpha-(nitromethyl)benzyl alcohol?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-alpha-(nitromethyl)benzyl alcohol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.