Basic information
- CAS
56208-05-0- Standard SMILES
CCC(=O)OC(CCl)CC#N- InChIKey
YKIBLAJXJQXDBQ-UHFFFAOYSA-N- Molecular formula
- C7H10ClNO2
- Average molar mass
- 175.61 g/mol
- Monoisotopic mass
- 175.0400063
Names & identifiers
- Preferred name
- Butanenitrile, 4-chloro-3-(1-oxopropoxy)-
- IUPAC
- (1-chloro-3-cyanopropan-2-yl) propanoate
Names & synonyms
56208-05-0Butanenitrile, 4-chloro-3-(1-oxopropoxy)-4-Chloro-3-propionyl-butyronitrileSCHEMBL7719953DTXSID209716021-Chloro-3-cyanopropan-2-yl propanoate
Database identifiers
- CAS
56208-05-0- PubChem CID
- 134409
- DTXSID
DTXSID20971602
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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