trans-4-(2,3,6-Trichlorophenyl)-3-buten-2-one
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Basic information
- Standard SMILES
CC(=O)/C=C/c1c(Cl)ccc(Cl)c1Cl- InChIKey
WRRLIAMYUMWYBL-NSCUHMNNSA-N- Molecular formula
- C10H7Cl3O
- Average molar mass
- 249.5 g/mol
Names & identifiers
- Preferred name
- trans-4-(2,3,6-Trichlorophenyl)-3-buten-2-one
- IUPAC
- (E)-4-(2,3,6-trichlorophenyl)but-3-en-2-one
Names & synonyms
(E)-4-(2,3,6-trichlorophenyl)but-3-en-2-oneSCHEMBL7525755WRRLIAMYUMWYBL-NSCUHMNNSA-NAKOS017414079366815-44-3SY460970trans-4-(2,3,6-trichlorophenyl)-3-buten-2-one
Database identifiers
- PubChem CID
- 18366206
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 240
Related reactions
1 records
Compound notes
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