1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-
Basic information
- CAS
100991-89-7- Standard SMILES
CC(=O)/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1- InChIKey
YVHUCSJCKCLJEF-NTEUORMPSA-N- Molecular formula
- C17H12Cl2O2
- Average molar mass
- 319.2 g/mol
- Monoisotopic mass
- 318.021435
Names & identifiers
- Preferred name
- 1,3-Butanedione, 2-(3,4-dichlorobenzylidene)-1-phenyl-
- IUPAC
- (2E)-2-[(3,4-dichlorophenyl)methylidene]-1-phenylbutane-1,3-dione
Names & synonyms
1,3-BUTANEDIONE, 2-(3,4-DICHLOROBENZYLIDENE)-1-PHENYL-100991-89-7RefChem:10527562-(3,4-Dichlorobenzylidene)-1-phenyl-1,3-butanedioneNSC162294NSC-162294
Database identifiers
- CAS
100991-89-7- PubChem CID
- 6435658
- Nikkaji
- J64.651B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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