Basic information
- CAS
683-70-5- Standard SMILES
C=C(Cl)C(C)=O- InChIKey
AUITUKWCKGNHMQ-UHFFFAOYSA-N- Molecular formula
- C4H5ClO
- Average molar mass
- 104.53 g/mol
- Monoisotopic mass
- 104.0028925
Names & identifiers
- Preferred name
- 3-Chloro-3-buten-2-one
- IUPAC
- 3-chlorobut-3-en-2-one
Names & synonyms
3-CHLORO-3-BUTEN-2-ONE683-70-53-chlorobut-3-en-2-one2-Chloro-1-buten-3-onemethylene acetone chloride3-Chloro-3-buten-2-one #SCHEMBL4808424DTXSID70218453AUITUKWCKGNHMQ-UHFFFAOYSA-N
Database identifiers
- CAS
683-70-5- PubChem CID
- 12693
- DTXSID
DTXSID70218453- Nikkaji
- J799.470B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 85.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…