2,6-二氯苯甲腈氧化物
TL;DR: 2,6-二氯苯甲腈氧化物 (CAS 2904-62-3) is a chemical compound with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二氯苯甲腈氧化物
2,6-dichlorobenzonitrile oxide
Also Known As: 2,6-dichlorobenzonitrile oxide, 2,6-Dichlorobenzonitrile N-oxide, (2,6-DICHLOROPHENYL)FORMONITRILE OXIDE, Benzonitrile, 2,6-dichloro-, N-oxide, 2,6-dichloro-benzonitrile oxide
| Molecular Formula | C7H3Cl2NO |
|---|---|
| Molecular Weight | 186.96 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.95917 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 2904-62-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C#[N+][O-])Cl |
| InChIKey | XACGZMBUDCYGPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二氯苯甲腈氧化物 (CAS 2904-62-3), with molecular formula C7H3Cl2NO and molecular weight 186.96 g/mol. IUPAC: 2,6-dichlorobenzonitrile oxide.
Chemical Property Profile of 2,6-二氯苯甲腈氧化物
Property Insights of 2,6-二氯苯甲腈氧化物
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二氯苯甲腈氧化物. With a topological polar surface area (TPSA) of 30.7 Ų, 2,6-二氯苯甲腈氧化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二氯苯甲腈氧化物 has 0 hydrogen bond donor(s) and 1 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 2,6-二氯苯甲腈氧化物?
The CAS number of 2,6-二氯苯甲腈氧化物 is 2904-62-3.
What is the molecular formula of 2,6-二氯苯甲腈氧化物?
The molecular formula of 2,6-二氯苯甲腈氧化物 is C7H3Cl2NO.
What is the molecular weight of 2,6-二氯苯甲腈氧化物?
The molecular weight of 2,6-二氯苯甲腈氧化物 is 186.96 g/mol.
Where can I buy 2,6-二氯苯甲腈氧化物?
You can request a quote for 2,6-二氯苯甲腈氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二氯苯甲腈氧化物?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二氯苯甲腈氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.