4,4-Dichloro-5-oxopentanenitrile
Basic information
- CAS
104156-84-5- Standard SMILES
N#CCCC(Cl)(Cl)C=O- InChIKey
YFIYDEKBFQYPTB-UHFFFAOYSA-N- Molecular formula
- C5H5Cl2NO
- Average molar mass
- 166 g/mol
- Monoisotopic mass
- 164.9748192
Names & identifiers
- Preferred name
- 4,4-Dichloro-5-oxopentanenitrile
- IUPAC
- 4,4-dichloro-5-oxopentanenitrile
Names & synonyms
4,4-Dichloro-5-oxopentanenitrile104156-84-5SCHEMBL27469278DTXSID80908833
Database identifiers
- CAS
104156-84-5- PubChem CID
- 44154409
- DTXSID
DTXSID80908833- Nikkaji
- J1.593.954K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…