Basic information
- CAS
130233-20-4- Standard SMILES
C[C@H](Cl)C#N- InChIKey
JNAYPRPPXRWGQO-VKHMYHEASA-N- Molecular formula
- C3H4ClN
- Average molar mass
- 89.52 g/mol
- Monoisotopic mass
- 89.0032268
Names & identifiers
- Preferred name
- (2s)-2-Chloropropanenitrile
- IUPAC
- (2S)-2-chloropropanenitrile
Names & synonyms
(s)-2-chloropropionitrile(2s)-2-chloropropanenitrile130233-20-4(s)-2-chloropropanenitrileSCHEMBL7524186DTXSID30870894
Database identifiers
- CAS
130233-20-4、1617-17-0- PubChem CID
- 80286
- DTXSID
DTXSID30870894- Nikkaji
- J2.177.074D
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 60.5
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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