3-Nitrobenzoic acid, sodium salt
TL;DR: 3-Nitrobenzoic acid, sodium salt (CAS 827-95-2) is a chemical compound with molecular formula C7H4NNaO4 and molecular weight 189.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-nitrobenzoate
Also Known As: Sodium 3-nitrobenzoate, 3-Nitrobenzoic acid sodium salt, sodium;3-nitrobenzoate, Sodium3-nitrobenzoate, SODIUM M-NITROBENZOATE
| Molecular Formula | C7H4NNaO4 |
|---|---|
| Molecular Weight | 189.00 g/mol |
| LogP | -3.04 |
| Topological Polar Surface Area | 86.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.0038 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 827-95-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)[O-].[Na+] |
| InChIKey | MUADFEZFSKAZLT-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrobenzoic acid, sodium salt (CAS 827-95-2), with molecular formula C7H4NNaO4 and molecular weight 189.00 g/mol. IUPAC: sodium 3-nitrobenzoate.
Chemical Property Profile of 3-Nitrobenzoic acid, sodium salt
Property Insights of 3-Nitrobenzoic acid, sodium salt
The XLogP value of -3.04 indicates that 3-Nitrobenzoic acid, sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrobenzoic acid, sodium salt. Following Lipinski's Rule of Five, 3-Nitrobenzoic acid, sodium salt has 0 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-Nitrobenzoic acid, sodium salt?
The CAS number of 3-Nitrobenzoic acid, sodium salt is 827-95-2.
What is the molecular formula of 3-Nitrobenzoic acid, sodium salt?
The molecular formula of 3-Nitrobenzoic acid, sodium salt is C7H4NNaO4.
What is the molecular weight of 3-Nitrobenzoic acid, sodium salt?
The molecular weight of 3-Nitrobenzoic acid, sodium salt is 189.00 g/mol.
Where can I buy 3-Nitrobenzoic acid, sodium salt?
You can request a quote for 3-Nitrobenzoic acid, sodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrobenzoic acid, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrobenzoic acid, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.