4-氯-3-硝基苄醇
TL;DR: 4-氯-3-硝基苄醇 (CAS 55912-20-4) 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-氯-3-硝基苄醇
(4-chloro-3-nitrophenyl)methanol
Also Known As: 4-Chloro-3-nitrobenzyl alcohol, (4-Chloro-3-nitrophenyl)methanol, 4-Chloro-3-nitrobenzenemethanol, 4-Chloro-3-nitrobenzylalcohol, 3-nitro-4-chlorobenzyl alcohol
| Molecular Formula | C7H6ClNO3 |
|---|---|
| Molecular Weight | 187.00 g/mol |
| LogP | 1.5 |
| 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 | 55912-20-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CO)[N+](=O)[O-])Cl |
| InChIKey | QLLRQJDSYJIXTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3-硝基苄醇 (CAS 55912-20-4), with molecular formula C7H6ClNO3 and molecular weight 187.00 g/mol. IUPAC: (4-chloro-3-nitrophenyl)methanol.
Chemical Property Profile of 4-氯-3-硝基苄醇
Property Insights of 4-氯-3-硝基苄醇
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-3-硝基苄醇. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯-3-硝基苄醇. Following Lipinski's Rule of Five, 4-氯-3-硝基苄醇 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-氯-3-硝基苄醇?
The CAS number of 4-氯-3-硝基苄醇 is 55912-20-4.
What is the molecular formula of 4-氯-3-硝基苄醇?
The molecular formula of 4-氯-3-硝基苄醇 is C7H6ClNO3.
What is the molecular weight of 4-氯-3-硝基苄醇?
The molecular weight of 4-氯-3-硝基苄醇 is 187.00 g/mol.
Where can I buy 4-氯-3-硝基苄醇?
You can request a quote for 4-氯-3-硝基苄醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-3-硝基苄醇?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3-硝基苄醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.