1,3-Bis[4-chlorophenyl]-2-buten-1-one
Basic information
- CAS
16197-82-3- Standard SMILES
C/C(=C\C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1- InChIKey
JCLHZOCYZUYOCS-ZHACJKMWSA-N- Molecular formula
- C16H12Cl2O
- Average molar mass
- 291.2 g/mol
- Monoisotopic mass
- 290.0265204
Names & identifiers
- Preferred name
- 1,3-Bis[4-chlorophenyl]-2-buten-1-one
- IUPAC
- (E)-1,3-bis(4-chlorophenyl)but-2-en-1-one
Names & synonyms
NSC22379SCHEMBL11822730JCLHZOCYZUYOCS-ZHACJKMWSA-N16197-82-3NSC-223791,3-Bis[4-chlorophenyl]-2-buten-1-one(2E)-1,3-Bis(4-chlorophenyl)-2-buten-1-one #
Database identifiers
- CAS
16197-82-3- PubChem CID
- 5370549
- Nikkaji
- J1.964.379D
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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