Benzoic acid, 4-amino-3-nitro-
TL;DR: Benzoic acid, 4-amino-3-nitro- (CAS 1588-83-6) is a chemical compound with molecular formula C7H6N2O4 and molecular weight 182.03276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-nitrobenzoic acid
Also Known As: 4-Amino-3-nitrobenzoic acid, Benzoic acid, 4-amino-3-nitro-, 4-Carboxy-2-nitroaniline, 3-Nitro-4-aminobenzoic acid, 3-Nitro-4-aminobenozic acid
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H6N2O4 |
| Molecular Weight | 182.03276 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 182.03276 Da |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
| Solubility | >27.3 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N |
| InChIKey | ZZNAYFWAXZJITH-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-amino-3-nitro-
Property Insights of Benzoic acid, 4-amino-3-nitro-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-amino-3-nitro-. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-amino-3-nitro-. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-3-nitro- 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 Benzoic acid, 4-amino-3-nitro-?
The CAS number of Benzoic acid, 4-amino-3-nitro- is 1588-83-6.
What is the molecular formula of Benzoic acid, 4-amino-3-nitro-?
The molecular formula of Benzoic acid, 4-amino-3-nitro- is C7H6N2O4.
What is the molecular weight of Benzoic acid, 4-amino-3-nitro-?
The molecular weight of Benzoic acid, 4-amino-3-nitro- is 182.03276 g/mol.
Where can I buy Benzoic acid, 4-amino-3-nitro-?
You can request a quote for Benzoic acid, 4-amino-3-nitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-amino-3-nitro-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-amino-3-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.