邻硝基苯甲醚
TL;DR: 邻硝基苯甲醚 (CAS 91-23-6) 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.
邻硝基苯甲醚
1-methoxy-2-nitrobenzene
Also Known As: 2-Nitroanisole, 1-Methoxy-2-nitrobenzene, O-NITROANISOLE, Anisole, o-nitro-, 2-Methoxynitrobenzene
| Molecular Formula | C7H7NO3 |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.04259 |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| Melting Point | 10.5 °C |
| Boiling Point | 277 °C; 144 °C at 4 mm Hg |
| Density | 1.2540 g/cu cm at 20 °C |
| Solubility | Miscible with ethanol, ethyl ether; soluble in carbon tetrachloride |
| Flash Point | 124 °C |
| Vapor Pressure | 0.0036 [mmHg] |
| Refractive Index | = 1.5161 at 20 °C |
Chemical Identifiers
| CAS Number | 91-23-6 |
|---|---|
| SMILES | COC1=CC=CC=C1[N+](=O)[O-] |
| InChIKey | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻硝基苯甲醚 (CAS 91-23-6), with molecular formula C7H7NO3 and molecular weight 153.04 g/mol. IUPAC: 1-methoxy-2-nitrobenzene.
Chemical Property Profile of 邻硝基苯甲醚
Property Insights of 邻硝基苯甲醚
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻硝基苯甲醚. With a topological polar surface area (TPSA) of 55.1 Ų, 邻硝基苯甲醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻硝基苯甲醚 has 0 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 邻硝基苯甲醚?
The CAS number of 邻硝基苯甲醚 is 91-23-6.
What is the molecular formula of 邻硝基苯甲醚?
The molecular formula of 邻硝基苯甲醚 is C7H7NO3.
What is the molecular weight of 邻硝基苯甲醚?
The molecular weight of 邻硝基苯甲醚 is 153.04 g/mol.
Where can I buy 邻硝基苯甲醚?
You can request a quote for 邻硝基苯甲醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻硝基苯甲醚?
Yes, KEHONG BIO provides custom synthesis services for 邻硝基苯甲醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.