Benzonitrile, 4-(chloroacetyl)-
TL;DR: Benzonitrile, 4-(chloroacetyl)- (CAS 375358-19-3) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroacetyl)benzonitrile
Also Known As: 4-(2-chloroacetyl)benzonitrile, 4-(chloroacetyl)benzonitrile, Benzonitrile, 4-(chloroacetyl)-, 4-cyanophenacyl chloride, Ixaconazole Impurity31
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 375358-19-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(=O)CCl |
| InChIKey | LDHNCFIXYHXVDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzonitrile, 4-(chloroacetyl)- (CAS 375358-19-3), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 4-(2-chloroacetyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(chloroacetyl)-
Property Insights of Benzonitrile, 4-(chloroacetyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-(chloroacetyl)-. With a topological polar surface area (TPSA) of 40.9 Ų, Benzonitrile, 4-(chloroacetyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(chloroacetyl)- has 0 hydrogen bond donor(s) and 2 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 Benzonitrile, 4-(chloroacetyl)-?
The CAS number of Benzonitrile, 4-(chloroacetyl)- is 375358-19-3.
What is the molecular formula of Benzonitrile, 4-(chloroacetyl)-?
The molecular formula of Benzonitrile, 4-(chloroacetyl)- is C9H6ClNO.
What is the molecular weight of Benzonitrile, 4-(chloroacetyl)-?
The molecular weight of Benzonitrile, 4-(chloroacetyl)- is 179.01 g/mol.
Where can I buy Benzonitrile, 4-(chloroacetyl)-?
You can request a quote for Benzonitrile, 4-(chloroacetyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(chloroacetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(chloroacetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.