Basic information
- CAS
17583-00-5- Standard SMILES
N#Cc1ccccc1Nc1ccccc1- InChIKey
CQPPEKZIPAHVKL-UHFFFAOYSA-N- Molecular formula
- C13H10N2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.08439832
Names & identifiers
- Preferred name
- 2-(Phenylamino)benzonitrile
- IUPAC
- 2-anilinobenzonitrile
Names & synonyms
2-(phenylamino)benzonitrile2-anilinobenzonitrile17583-00-5Anilin-BenzonitrilNSC751862-phenylaminobenzonitrileSCHEMBL4188631Benzonitrile, 2-(phenylamino)-DTXSID40938712CQPPEKZIPAHVKL-UHFFFAOYSA-NNSC-75186AKOS000260864
Show more names
DS-007219
Database identifiers
- CAS
17583-00-5- PubChem CID
- 252880
- DTXSID
DTXSID40938712- Nikkaji
- J962.661A
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
4 records
Compound notes
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