(p-Chlorobenzyl)(m-tolylazo)malononitrile
Basic information
- CAS
3701-16-4- Standard SMILES
Cc1cccc(N=NC(c2ccc(Cl)cc2)C(C#N)C#N)c1- InChIKey
CVSWGQXLEKHWTF-UHFFFAOYSA-N- Molecular formula
- C17H13ClN4
- Average molar mass
- 308.8 g/mol
- Monoisotopic mass
- 308.0828741
Names & identifiers
- Preferred name
- (p-Chlorobenzyl)(m-tolylazo)malononitrile
- IUPAC
- 2-[(4-chlorophenyl)-[(3-methylphenyl)diazenyl]methyl]propanedinitrile
Names & synonyms
(p-Chlorobenzyl)(m-tolylazo)malononitrile3701-16-4F 23033-Tolyl-azo-(4'-chlorobenzyl)-malononitril [German]MALONONITRILE, (p-CHLOROBENZYL)(m-TOLYLAZO)-3-Tolyl-azo-(4'-chlorobenzyl)-malononitril
Database identifiers
- CAS
3701-16-4- PubChem CID
- 19442
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 461
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Compound notes
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