Basic information
- CAS
61170-74-9- Standard SMILES
CCCC(=O)C1OC1CCl- InChIKey
DXQVUTGDSPQJKB-UHFFFAOYSA-N- Molecular formula
- C7H11ClO2
- Average molar mass
- 162.61 g/mol
- Monoisotopic mass
- 162.0447573
Names & identifiers
- Preferred name
- 1-Butanone, 1-[3-(chloromethyl)oxiranyl]-
- IUPAC
- 1-[3-(chloromethyl)oxiran-2-yl]butan-1-one
Names & synonyms
1-Butanone, 1-[3-(chloromethyl)oxiranyl]-61170-74-91-[3-(chloromethyl)oxiran-2-yl]butan-1-oneDTXSID40484623
Database identifiers
- CAS
61170-74-9- PubChem CID
- 12287635
- DTXSID
DTXSID40484623
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 29.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…