[3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
Basic information
- CAS
94360-06-2- Standard SMILES
N#CC(C#N)C(CC(=O)c1ccc(Br)cc1)c1ccccc1- InChIKey
ORVQHQURHYOVKW-UHFFFAOYSA-N- Molecular formula
- C18H13BrN2O
- Average molar mass
- 353.2 g/mol
- Monoisotopic mass
- 352.02113
Names & identifiers
- Preferred name
- [3-(4-Bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
- IUPAC
- 2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile
Names & synonyms
STK376631[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedinitrile94360-06-2DTXSID10392584AKOS005447876ST508791962-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]malononitrile[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]methane-1,1-dicarbonitrile
Database identifiers
- CAS
94360-06-2- PubChem CID
- 3450175
- DTXSID
DTXSID10392584
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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