2-Propen-1-one, 1-(5-chloro-2-thienyl)-3-phenyl-
Basic information
- CAS
6310-23-2- Standard SMILES
O=C(C=Cc1ccccc1)c1ccc(Cl)s1- InChIKey
RXRRRWWGTQBBHT-UHFFFAOYSA-N- Molecular formula
- C13H9ClOS
- Average molar mass
- 248.73 g/mol
- Monoisotopic mass
- 248.0062638
Names & identifiers
- Preferred name
- 2-Propen-1-one, 1-(5-chloro-2-thienyl)-3-phenyl-
- IUPAC
- 1-(5-chlorothiophen-2-yl)-3-phenylprop-2-en-1-one
Names & synonyms
2-Propen-1-one, 1-(5-chloro-2-thienyl)-3-phenyl-DTXSID501237130
Database identifiers
- CAS
6310-23-2- PubChem CID
- 238595
- DTXSID
DTXSID501237130
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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