chlorobenzylidene malononitrile

Ligand id: 4158

Name: chlorobenzylidene malononitrile

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 47.58
Molecular weight 188.01
XLogP 2.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(2-chlorophenyl)methylidene]propanedinitrile
Synonyms
2-chlorobenzylidene malononitrile | alonitrile | CS gas (lacrimator)
Database Links
CAS Registry No. 2698-41-1 (source: SciFinder)
ChEMBL Ligand CHEMBL1256101
PubChem CID 17604
Search Google for chemical match using the InChIKey JJNZXLAFIPKXIG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone JJNZXLAFIPKXIG
Search UniChem for chemical match using the InChIKey JJNZXLAFIPKXIG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone JJNZXLAFIPKXIG
Wikipedia CS_gas