Ammonium 3-nitrobenzoate
TL;DR: Ammonium 3-nitrobenzoate (CAS 19328-56-4) is a chemical compound with molecular formula C7H8N2O4 and molecular weight 184.0484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azane;3-nitrobenzoic acid
Also Known As: Ammonium 3-nitrobenzoate, azane,3-nitrobenzoic acid, azane;3-nitrobenzoic acid, azane; 3-nitrobenzoic acid, 3-Nitrobenzoic acid--ammonia (1/1)
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8N2O4 |
| Molecular Weight | 184.0484 g/mol |
| XLogP | 1.45 |
| Topological Polar Surface Area (TPSA) | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.0484 Da |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O.N |
| InChIKey | RDWQYBUSPWIBRI-UHFFFAOYSA-N |
Chemical Property Profile of Ammonium 3-nitrobenzoate
Property Insights of Ammonium 3-nitrobenzoate
The XLogP value of 1.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium 3-nitrobenzoate. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium 3-nitrobenzoate. Following Lipinski's Rule of Five, Ammonium 3-nitrobenzoate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ammonium 3-nitrobenzoate?
The CAS number of Ammonium 3-nitrobenzoate is 19328-56-4.
What is the molecular formula of Ammonium 3-nitrobenzoate?
The molecular formula of Ammonium 3-nitrobenzoate is C7H8N2O4.
What is the molecular weight of Ammonium 3-nitrobenzoate?
The molecular weight of Ammonium 3-nitrobenzoate is 184.0484 g/mol.
Where can I buy Ammonium 3-nitrobenzoate?
You can request a quote for Ammonium 3-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ammonium 3-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Ammonium 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.