4-氯-3-硝基苯甲酸
TL;DR: 4-氯-3-硝基苯甲酸 (CAS 96-99-1) is a chemical compound with molecular formula C7H4ClNO4 and molecular weight 200.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-3-硝基苯甲酸
4-chloro-3-nitrobenzoic acid
Also Known As: 4-CHLORO-3-NITROBENZOIC ACID, 3-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3-nitro-, Intedanib Impurity 1, 4-Chloro-3-nitrobenzoicAcid
| Molecular Formula | C7H4ClNO4 |
|---|---|
| Molecular Weight | 200.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.98288 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 96-99-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl |
| InChIKey | DFXQXFGFOLXAPO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3-硝基苯甲酸 (CAS 96-99-1), with molecular formula C7H4ClNO4 and molecular weight 200.98 g/mol. IUPAC: 4-chloro-3-nitrobenzoic acid.
Chemical Property Profile of 4-氯-3-硝基苯甲酸
Property Insights of 4-氯-3-硝基苯甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-3-硝基苯甲酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯-3-硝基苯甲酸. Following Lipinski's Rule of Five, 4-氯-3-硝基苯甲酸 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
Frequently Asked Questions
What is the CAS number of 4-氯-3-硝基苯甲酸?
The CAS number of 4-氯-3-硝基苯甲酸 is 96-99-1.
What is the molecular formula of 4-氯-3-硝基苯甲酸?
The molecular formula of 4-氯-3-硝基苯甲酸 is C7H4ClNO4.
What is the molecular weight of 4-氯-3-硝基苯甲酸?
The molecular weight of 4-氯-3-硝基苯甲酸 is 200.98 g/mol.
Where can I buy 4-氯-3-硝基苯甲酸?
You can request a quote for 4-氯-3-硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-3-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.