1-(3-Bromophenyl)-3-phenylprop-2-yn-1-one
Basic information
- CAS
53692-59-4- Standard SMILES
O=C(C#Cc1ccccc1)c1cccc(Br)c1- InChIKey
HXPDUPAJZPSNON-UHFFFAOYSA-N- Molecular formula
- C15H9BrO
- Average molar mass
- 285.13 g/mol
- Monoisotopic mass
- 283.98368
Names & identifiers
- Preferred name
- 1-(3-Bromophenyl)-3-phenylprop-2-yn-1-one
- IUPAC
- 1-(3-bromophenyl)-3-phenylprop-2-yn-1-one
Names & synonyms
53692-59-42-Propyn-1-one, 1-(3-bromophenyl)-3-phenyl-1-(3-Bromophenyl)-3-phenylprop-2-yn-1-oneSCHEMBL17348262DTXSID10497684
Database identifiers
- CAS
53692-59-4- PubChem CID
- 12425504
- DTXSID
DTXSID10497684
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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