(2-Chlorophenyl)(hydroxyimino)acetonitrile
TL;DR: (2-Chlorophenyl)(hydroxyimino)acetonitrile (CAS 21742-26-7) is a chemical compound with molecular formula C8H5ClN2O and molecular weight 180.00903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-chlorophenyl)-2-hydroxyiminoacetonitrile
Also Known As: Maybridge3_006995, (2-Chlorophenyl)(hydroxyimino)acetonitrile, 2-(2-chlorophenyl)-2-hydroxyiminoacetonitrile, Benzeneacetonitrile,2-chloro-a-(hydroxyimino)-, EINECS 244-561-1
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H5ClN2O |
| Molecular Weight | 180.00903 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.00903 Da |
| Heavy Atoms | 12 |
| Complexity | 230.0 |
| SMILES | C1=CC=C(C(=C1)C(=NO)C#N)Cl |
| InChIKey | IUROYCYHNOGWHM-UHFFFAOYSA-N |
Chemical Property Profile of (2-Chlorophenyl)(hydroxyimino)acetonitrile
Property Insights of (2-Chlorophenyl)(hydroxyimino)acetonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Chlorophenyl)(hydroxyimino)acetonitrile. With a topological polar surface area (TPSA) of 56.4 Ų, (2-Chlorophenyl)(hydroxyimino)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Chlorophenyl)(hydroxyimino)acetonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (2-Chlorophenyl)(hydroxyimino)acetonitrile?
The CAS number of (2-Chlorophenyl)(hydroxyimino)acetonitrile is 21742-26-7.
What is the molecular formula of (2-Chlorophenyl)(hydroxyimino)acetonitrile?
The molecular formula of (2-Chlorophenyl)(hydroxyimino)acetonitrile is C8H5ClN2O.
What is the molecular weight of (2-Chlorophenyl)(hydroxyimino)acetonitrile?
The molecular weight of (2-Chlorophenyl)(hydroxyimino)acetonitrile is 180.00903 g/mol.
Where can I buy (2-Chlorophenyl)(hydroxyimino)acetonitrile?
You can request a quote for (2-Chlorophenyl)(hydroxyimino)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Chlorophenyl)(hydroxyimino)acetonitrile?
Yes, CoreyChem provides custom synthesis services for (2-Chlorophenyl)(hydroxyimino)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.