(E)-1-(3,4-dichlorophenyl)hept-1-en-3-one
Basic information
- CAS
84319-70-0- Standard SMILES
CCCCC(=O)/C=C/c1ccc(Cl)c(Cl)c1- InChIKey
YAPGGSHECKFLDO-FNORWQNLSA-N- Molecular formula
- C13H14Cl2O
- Average molar mass
- 257.15 g/mol
- Monoisotopic mass
- 256.0421705
Names & identifiers
- Preferred name
- (E)-1-(3,4-dichlorophenyl)hept-1-en-3-one
- IUPAC
- (E)-1-(3,4-dichlorophenyl)hept-1-en-3-one
Names & synonyms
NSC31341384319-70-0DTXSID10421500NSC-313413(1E)-1-(3,4-Dichlorophenyl)hept-1-en-3-one
Database identifiers
- CAS
84319-70-0- PubChem CID
- 5961130
- DTXSID
DTXSID10421500
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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