2-氯-5-硝基苯甲酸
TL;DR: 2-氯-5-硝基苯甲酸 (CAS 2516-96-3) 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.
2-氯-5-硝基苯甲酸
2-chloro-5-nitrobenzoic acid
Also Known As: 2-CHLORO-5-NITROBENZOIC ACID, Benzoic acid, 2-chloro-5-nitro-, null, DL-Thiocticacid, 6-Chloro-3-nitrobenzoic acid
| Molecular Formula | C7H4ClNO4 |
|---|---|
| Molecular Weight | 200.98 g/mol |
| LogP | 2.0 |
| 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 |
| Vapor Pressure | 0.0000189 [mmHg] |
Chemical Identifiers
| CAS Number | 2516-96-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl |
| InChIKey | QUEKGYQTRJVEQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-5-硝基苯甲酸 (CAS 2516-96-3), with molecular formula C7H4ClNO4 and molecular weight 200.98 g/mol. IUPAC: 2-chloro-5-nitrobenzoic acid.
Chemical Property Profile of 2-氯-5-硝基苯甲酸
Property Insights of 2-氯-5-硝基苯甲酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-5-硝基苯甲酸. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-5-硝基苯甲酸. Following Lipinski's Rule of Five, 2-氯-5-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 2-氯-5-硝基苯甲酸?
The CAS number of 2-氯-5-硝基苯甲酸 is 2516-96-3.
What is the molecular formula of 2-氯-5-硝基苯甲酸?
The molecular formula of 2-氯-5-硝基苯甲酸 is C7H4ClNO4.
What is the molecular weight of 2-氯-5-硝基苯甲酸?
The molecular weight of 2-氯-5-硝基苯甲酸 is 200.98 g/mol.
Where can I buy 2-氯-5-硝基苯甲酸?
You can request a quote for 2-氯-5-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 2-氯-5-硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-5-硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.