1,4-Benzenedicarbonitrile, 2-chloro-
Basic information
- CAS
1897-47-8- Standard SMILES
N#Cc1ccc(C#N)c(Cl)c1- InChIKey
FUXVXOPFTHRBNH-UHFFFAOYSA-N- Molecular formula
- C8H3ClN2
- Average molar mass
- 162.57 g/mol
- Monoisotopic mass
- 161.9984758
Names & identifiers
- Preferred name
- 1,4-Benzenedicarbonitrile, 2-chloro-
- IUPAC
- 2-chlorobenzene-1,4-dicarbonitrile
Names & synonyms
1897-47-81,4-Benzenedicarbonitrile, 2-chloro-RefChem:10531531-Chloro-2,5-dicyanobenzene2-chlorobenzene-1,4-dicarbonitrileChloroterephthalonitrile2-Chloroterephthalonitrile2-ChloroterephthalodinitrileBRN 24418872-Chloro-1,4-benzenedicarbonitrileTerephthalonitrile, chloro-SCHEMBL2947436
Show more names
CHEMBL3248225DTXSID30940485
Database identifiers
- CAS
1897-47-8- PubChem CID
- 121192
- DTXSID
DTXSID30940485- ChEMBL
CHEMBL3248225
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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