3-硝基苯甲酸
TL;DR: 3-硝基苯甲酸 (CAS 121-92-6) is a chemical compound with molecular formula C7H5NO4 and molecular weight 167.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基苯甲酸
3-nitrobenzoic acid
Also Known As: 3-NITROBENZOIC ACID, m-Nitrobenzoic acid, Benzoic acid, 3-nitro-, Benzoic acid, m-nitro-, Metanitrobenzoic acid
| Molecular Formula | C7H5NO4 |
|---|---|
| Molecular Weight | 167.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.02185 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
| Melting Point | 284 to 142.2 °C |
| Density | 1.494 at 20.0 °C |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| Vapor Pressure | 0.0000371 [mmHg] |
Chemical Identifiers
| CAS Number | 121-92-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | AFPHTEQTJZKQAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基苯甲酸 (CAS 121-92-6), with molecular formula C7H5NO4 and molecular weight 167.02 g/mol. IUPAC: 3-nitrobenzoic acid.
Chemical Property Profile of 3-硝基苯甲酸
Property Insights of 3-硝基苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-硝基苯甲酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-硝基苯甲酸. Following Lipinski's Rule of Five, 3-硝基苯甲酸 has 1 hydrogen bond donor(s) and 4 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-硝基苯甲酸?
The CAS number of 3-硝基苯甲酸 is 121-92-6.
What is the molecular formula of 3-硝基苯甲酸?
The molecular formula of 3-硝基苯甲酸 is C7H5NO4.
What is the molecular weight of 3-硝基苯甲酸?
The molecular weight of 3-硝基苯甲酸 is 167.02 g/mol.
Where can I buy 3-硝基苯甲酸?
You can request a quote for 3-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.