Basic information
- Standard SMILES
CC(=O)C=Cc1c(Cl)cccc1Cl- InChIKey
QUUBBGLIJLKARO-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2O
- Average molar mass
- 215.07 g/mol
Names & identifiers
- Preferred name
- Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-
- IUPAC
- 4-(2,6-dichlorophenyl)but-3-en-2-one
Names & synonyms
Benzene,1,3-dichloro-2-[(2-propyn-1-yloxy)methyl]-SCHEMBL1585941QUUBBGLIJLKARO-UHFFFAOYSA-N4-(2,6-dichloro-phenyl)-but-3-en-2-one
Database identifiers
- PubChem CID
- 2777112
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
4 records
Compound notes
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