4-(3,4-Dichlorophenyl)-3-buten-2-one
Basic information
- CAS
74546-02-4- Standard SMILES
CC(=O)C=Cc1ccc(Cl)c(Cl)c1- InChIKey
HSKXQSBYMAGOIH-UHFFFAOYSA-N- Molecular formula
- C10H8Cl2O
- Average molar mass
- 215.07 g/mol
- Monoisotopic mass
- 213.99522024
Names & identifiers
- Preferred name
- 4-(3,4-Dichlorophenyl)-3-buten-2-one
- IUPAC
- 4-(3,4-dichlorophenyl)but-3-en-2-one
- English name
- 4-(3,4-Dichlorophenyl)but-3-en-2-one
- Molecular formula
- C10H8Cl2O
- Molecular weight
- 215.08
Names & synonyms
4-(3,4-dichlorophenyl)-3-buten-2-one4-(3,4-Dichlorophenyl)-3-butene-2-one3,4-dichlorobenzalacetoneSCHEMBL13445583,4-dichlorobenzylidene acetoneHSKXQSBYMAGOIH-UHFFFAOYSA-NDTXSID601289922AKOS0174140391-(3,4-dichlorophenyl)but-1-en-3-one4-(3,4-Dichlorophenyl)but-3-en-2-one3-Buten-2-one, 4-(3,4-dichlorophenyl)-(E)-4-(3,4-dichlorophenyl)but-3-en-2-one
Database identifiers
- CAS
74546-02-4- PubChem CID
- 326563
- DTXSID
DTXSID601289922
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
- 213
Physicochemical properties
- Melting point
- 55.3 °C · 55.3 °C
- Boiling point
- 342.7 · 342.7±32.0 °C(Predicted)
- Density
- 1.28 · 1.280±0.06 g/cm3(Predicted)
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Related reactions
7 records
Compound notes
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