3-硝基苯甲醇
TL;DR: 3-硝基苯甲醇 (CAS 619-25-0) is a chemical compound with molecular formula C7H7NO3 and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基苯甲醇
(3-nitrophenyl)methanol
Also Known As: 3-Nitrobenzyl alcohol, (3-Nitrophenyl)methanol, m-Nitrobenzyl alcohol, Benzenemethanol, 3-nitro-, 3-Nitrobenzenemethanol
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| Vapor Pressure | 0.0000858 [mmHg] |
Chemical Identifiers
| CAS Number | 619-25-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CO |
| InChIKey | CWNPOQFCIIFQDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苯甲醇 (CAS 619-25-0), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: (3-nitrophenyl)methanol.
Chemical Property Profile of 3-硝基苯甲醇
Property Insights of 3-硝基苯甲醇
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯甲醇. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯甲醇. Following Lipinski's Rule of Five, 3-硝基苯甲醇 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 3-硝基苯甲醇?
The CAS number of 3-硝基苯甲醇 is 619-25-0.
What is the molecular formula of 3-硝基苯甲醇?
The molecular formula of 3-硝基苯甲醇 is C7H7NO3.
What is the molecular weight of 3-硝基苯甲醇?
The molecular weight of 3-硝基苯甲醇 is 153.04 g/mol.
Where can I buy 3-硝基苯甲醇?
You can request a quote for 3-硝基苯甲醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基苯甲醇?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯甲醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.