4-(Chloromethyl)-2-nitrophenol
TL;DR: 4-(Chloromethyl)-2-nitrophenol (CAS 6694-75-3) 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.
4-(chloromethyl)-2-nitrophenol
Also Known As: 4-(chloromethyl)-2-nitrophenol, Phenol,4-(chloromethyl)-2-nitro-, 2,5-Difluorobenzylchloride, 4- -2-NITROPHENOL, 4-(chloromethyl)-2-nitro-phenol
| Molecular Formula | C7H6ClNO3 |
|---|---|
| Molecular Weight | 187.00 g/mol |
| LogP | 2.0392 |
| Topological Polar Surface Area | 63.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.00362 |
| Heavy Atoms | 12 |
| Complexity | 313.51984 |
Chemical Identifiers
| CAS Number | 6694-75-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CCl)[N+](=O)[O-])O |
Product Overview
4-(Chloromethyl)-2-nitrophenol (CAS 6694-75-3), with molecular formula C7H6ClNO3 and molecular weight 187.00 g/mol. IUPAC: 4-(chloromethyl)-2-nitrophenol.
Chemical Property Profile of 4-(Chloromethyl)-2-nitrophenol
Property Insights of 4-(Chloromethyl)-2-nitrophenol
The XLogP value of 2.0392 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-2-nitrophenol. The TPSA of 63.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Chloromethyl)-2-nitrophenol. Following Lipinski's Rule of Five, 4-(Chloromethyl)-2-nitrophenol 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 4-(Chloromethyl)-2-nitrophenol?
The CAS number of 4-(Chloromethyl)-2-nitrophenol is 6694-75-3.
What is the molecular formula of 4-(Chloromethyl)-2-nitrophenol?
The molecular formula of 4-(Chloromethyl)-2-nitrophenol is C7H6ClNO3.
What is the molecular weight of 4-(Chloromethyl)-2-nitrophenol?
The molecular weight of 4-(Chloromethyl)-2-nitrophenol is 187.00 g/mol.
Where can I buy 4-(Chloromethyl)-2-nitrophenol?
You can request a quote for 4-(Chloromethyl)-2-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-2-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.