1,4-Benzenedicarbonitrile, 2-butyl-
Basic information
- CAS
106853-93-4- Standard SMILES
CCCCc1cc(C#N)ccc1C#N- InChIKey
VIYJQLIUXRXNAY-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- 1,4-Benzenedicarbonitrile, 2-butyl-
- IUPAC
- 2-butylbenzene-1,4-dicarbonitrile
Names & synonyms
2-butylbenzene-1,4-dicarbonitrile1,4-Benzenedicarbonitrile, 2-butyl-106853-93-41-Butyl-2,5-dicyanobenzenebutyl p-dicyano benzene2-Butylterephthalonitrile #DTXSID40343221VIYJQLIUXRXNAY-UHFFFAOYSA-N
Database identifiers
- CAS
106853-93-4- PubChem CID
- 588306
- DTXSID
DTXSID40343221- Nikkaji
- J919.860A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 265
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Related reactions
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Compound notes
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