(2S)-2-(4-chloroanilino)-2-phenylpropanenitrile
Basic information
- CAS
81512-04-1- Standard SMILES
C[C@](C#N)(Nc1ccc(Cl)cc1)c1ccccc1- InChIKey
MNHYVCHHYGCMSF-OAHLLOKOSA-N- Molecular formula
- C15H13ClN2
- Average molar mass
- 256.73 g/mol
- Monoisotopic mass
- 256.0767261
Names & identifiers
- Preferred name
- (2S)-2-(4-chloroanilino)-2-phenylpropanenitrile
- IUPAC
- (2S)-2-(4-chloroanilino)-2-phenylpropanenitrile
Names & synonyms
(2S)-2-(4-chloroanilino)-2-phenylpropanenitrileDTXSID10100202081512-04-12-(4-chloroanilino)-2-phenylpropanenitrile
Database identifiers
- CAS
81512-04-1- PubChem CID
- 6933010
- DTXSID
DTXSID101002020
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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