2-氯-5-硝基苯甲腈
TL;DR: 2-氯-5-硝基苯甲腈 (CAS 16588-02-6) is a chemical compound with molecular formula C7H3ClN2O2 and molecular weight 181.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-5-硝基苯甲腈
2-chloro-5-nitrobenzonitrile
Also Known As: 2-Chloro-5-nitrobenzonitrile, Benzonitrile, 2-chloro-5-nitro-, 5-Nitro-2-chlorobenzonitrile, 2-Chlor-5-nitrobenzonitril, 2-Chloro-5-nitro-benzonitrile
| Molecular Formula | C7H3ClN2O2 |
|---|---|
| Molecular Weight | 181.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.98831 |
| Heavy Atoms | 12 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 16588-02-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)Cl |
| InChIKey | ZGILLTVEEBNDOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-5-硝基苯甲腈 (CAS 16588-02-6), with molecular formula C7H3ClN2O2 and molecular weight 181.99 g/mol. IUPAC: 2-chloro-5-nitrobenzonitrile.
Chemical Property Profile of 2-氯-5-硝基苯甲腈
Property Insights of 2-氯-5-硝基苯甲腈
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-5-硝基苯甲腈. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯-5-硝基苯甲腈. Following Lipinski's Rule of Five, 2-氯-5-硝基苯甲腈 has 0 hydrogen bond donor(s) and 3 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-硝基苯甲腈?
The CAS number of 2-氯-5-硝基苯甲腈 is 16588-02-6.
What is the molecular formula of 2-氯-5-硝基苯甲腈?
The molecular formula of 2-氯-5-硝基苯甲腈 is C7H3ClN2O2.
What is the molecular weight of 2-氯-5-硝基苯甲腈?
The molecular weight of 2-氯-5-硝基苯甲腈 is 181.99 g/mol.
Where can I buy 2-氯-5-硝基苯甲腈?
You can request a quote for 2-氯-5-硝基苯甲腈 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-硝基苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-5-硝基苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.