3-Chloro-2-nitrobenzoic acid
TL;DR: 3-Chloro-2-nitrobenzoic acid (CAS 4771-47-5) is a chemical compound with molecular formula C7H4ClNO4 and molecular weight 200.98288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloro-2-nitrobenzoic acid
Also Known As: 3-CHLORO-2-NITROBENZOIC ACID, Chlornitrobenzoesaure, Benzoic acid, 3-chloro-2-nitro-, 3-Chloro-2-nitrobenzoicacid, 3-chloro-2-nitro-benzoic acid
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H4ClNO4 |
| Molecular Weight | 200.98288 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.98288 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C(=O)O |
| InChIKey | VCHSXYHBMFKRBK-UHFFFAOYSA-N |
Chemical Property Profile of 3-Chloro-2-nitrobenzoic acid
Property Insights of 3-Chloro-2-nitrobenzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-2-nitrobenzoic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-2-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-Chloro-2-nitrobenzoic acid 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
What is the CAS number of 3-Chloro-2-nitrobenzoic acid?
The CAS number of 3-Chloro-2-nitrobenzoic acid is 4771-47-5.
What is the molecular formula of 3-Chloro-2-nitrobenzoic acid?
The molecular formula of 3-Chloro-2-nitrobenzoic acid is C7H4ClNO4.
What is the molecular weight of 3-Chloro-2-nitrobenzoic acid?
The molecular weight of 3-Chloro-2-nitrobenzoic acid is 200.98288 g/mol.
Where can I buy 3-Chloro-2-nitrobenzoic acid?
You can request a quote for 3-Chloro-2-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Chloro-2-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-Chloro-2-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.