4-Bromomethyl-2,6-dimethyl-4'-trifluoromethyl-biphenyl
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Basic information
- Standard SMILES
Cc1cc(CBr)cc(C)c1-c1ccc(C(F)(F)F)cc1- InChIKey
ATSWFVDWVJXIGW-UHFFFAOYSA-N- Molecular formula
- C16H14BrF3
- Average molar mass
- 343.18 g/mol
- Monoisotopic mass
- 342.0231
Names & identifiers
- Preferred name
- 4-Bromomethyl-2,6-dimethyl-4'-trifluoromethyl-biphenyl
- IUPAC
- 5-(bromomethyl)-1,3-dimethyl-2-[4-(trifluoromethyl)phenyl]benzene
Names & synonyms
4-Bromomethyl-2,6-dimethyl-4'-trifluoromethyl-biphenylSCHEMBL2657021
Database identifiers
- PubChem CID
- 67486145
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 295
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Related reactions
2 records
Compound notes
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