Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
TL;DR: Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester (CAS 19013-10-6) is a chemical compound with molecular formula C9H9NO5 and molecular weight 211.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-hydroxy-3-nitrobenzoate
Also Known As: Ethyl 4-hydroxy-3-nitrobenzoate, benzoic acid, 4-hydroxy-3-nitro-, ethyl ester, Ethyl4-hydroxy-3-nitrobenzoate, BEN436, ethyl 3-nitro-4-hydroxybenzoate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.04807 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.04807 Da |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | FBHJNBWUGONVNS-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
Property Insights of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester has 1 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-hydroxy-3-nitro-, ethyl ester?
The CAS number of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester is 19013-10-6.
What is the molecular formula of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester?
The molecular formula of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester is C9H9NO5.
What is the molecular weight of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester?
The molecular weight of Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester is 211.04807 g/mol.
Where can I buy Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester?
You can request a quote for Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-hydroxy-3-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.