Basic information
- CAS
39182-63-3- Standard SMILES
N#CC=CCCCl- InChIKey
ZCIDROYXNKYAAE-UHFFFAOYSA-N- Molecular formula
- C5H6ClN
- Average molar mass
- 115.56 g/mol
- Monoisotopic mass
- 115.0188769
Names & identifiers
- Preferred name
- 5-Chloro-2-pentenenitrile
- IUPAC
- 5-chloropent-2-enenitrile
Names & synonyms
5-Chloro-2-pentenenitrile5-Chloropent-2-enenitrileSCHEMBL11863930DTXSID10131227339182-63-3
Database identifiers
- CAS
39182-63-3- PubChem CID
- 54539773
- DTXSID
DTXSID101312273
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 97.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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