4-(Chloromethyl)benzene-1,2-dicarbonitrile
Basic information
- CAS
89927-55-9- Standard SMILES
N#Cc1ccc(CCl)cc1C#N- InChIKey
BRBQZAOETTWQCB-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2
- Average molar mass
- 176.6 g/mol
- Monoisotopic mass
- 176.0141259
Names & identifiers
- Preferred name
- 4-(Chloromethyl)benzene-1,2-dicarbonitrile
- IUPAC
- 4-(chloromethyl)benzene-1,2-dicarbonitrile
Names & synonyms
4-(Chloromethyl)benzene-1,2-dicarbonitrile89927-55-9DTXSID30615747RefChem:288724DTXCID70566502BRBQZAOETTWQCB-UHFFFAOYSA-NSCHEMBL11858547
Database identifiers
- CAS
89927-55-9- PubChem CID
- 21539948
- DTXSID
DTXSID30615747
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 244
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Related reactions
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Compound notes
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