4-氯-3,5-二硝基苯甲酸
TL;DR: 4-氯-3,5-二硝基苯甲酸 (CAS 118-97-8) is a chemical compound with molecular formula C7H3ClN2O6 and molecular weight 245.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氯-3,5-二硝基苯甲酸
4-chloro-3,5-dinitrobenzoic acid
Also Known As: 4-CHLORO-3,5-DINITROBENZOIC ACID, 3,5-Dinitro-4-chlorobenzoic acid, Glicondamide, Benzoic acid, 4-chloro-3,5-dinitro-, Benzoicacid, 4-chloro-3,5-dinitro-
| Molecular Formula | C7H3ClN2O6 |
|---|---|
| Molecular Weight | 245.97 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.96796 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| Vapor Pressure | 0.00000032 [mmHg] |
Chemical Identifiers
| CAS Number | 118-97-8 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O |
| InChIKey | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氯-3,5-二硝基苯甲酸 (CAS 118-97-8), with molecular formula C7H3ClN2O6 and molecular weight 245.97 g/mol. IUPAC: 4-chloro-3,5-dinitrobenzoic acid.
Chemical Property Profile of 4-氯-3,5-二硝基苯甲酸
Property Insights of 4-氯-3,5-二硝基苯甲酸
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氯-3,5-二硝基苯甲酸. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氯-3,5-二硝基苯甲酸. Following Lipinski's Rule of Five, 4-氯-3,5-二硝基苯甲酸 has 1 hydrogen bond donor(s) and 6 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-3,5-二硝基苯甲酸?
The CAS number of 4-氯-3,5-二硝基苯甲酸 is 118-97-8.
What is the molecular formula of 4-氯-3,5-二硝基苯甲酸?
The molecular formula of 4-氯-3,5-二硝基苯甲酸 is C7H3ClN2O6.
What is the molecular weight of 4-氯-3,5-二硝基苯甲酸?
The molecular weight of 4-氯-3,5-二硝基苯甲酸 is 245.97 g/mol.
Where can I buy 4-氯-3,5-二硝基苯甲酸?
You can request a quote for 4-氯-3,5-二硝基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氯-3,5-二硝基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氯-3,5-二硝基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.