Basic information
- CAS
1488990-07-3- Standard SMILES
COc1ccc(C(C#N)C(=O)c2cccc(Br)c2C)cc1- InChIKey
LVFVEQPTGAOAJO-UHFFFAOYSA-N- Molecular formula
- C17H14BrNO2
- Average molar mass
- 344.2 g/mol
- Monoisotopic mass
- 343.02079
Names & identifiers
- Preferred name
- 3-(3-Bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
- IUPAC
- 3-(3-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3-oxopropanenitrile
Names & synonyms
DTXSID401165659AKOS0148811423-(3-bromo-2-methylphenyl)-2-(4-methoxyphenyl)-3-oxopropanenitrileBenzenepropanenitrile, 3-bromo-I+/--(4-methoxyphenyl)-2-methyl-I(2)-oxo-1488990-07-3
Database identifiers
- CAS
1488990-07-3- PubChem CID
- 65543100
- DTXSID
DTXSID401165659
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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