Basic information
- Standard SMILES
O=C1C(Br)=C(c2ccc(C(F)(F)F)cc2)c2ccc(O)cc21- InChIKey
IJEDMQLZTXPLIS-UHFFFAOYSA-N- Molecular formula
- C16H8BrF3O2
- Average molar mass
- 369.13 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-3-(4-(trifluoromethyl)phenyl)-6-hydroxy-1H-inden-1-one
- IUPAC
- 2-bromo-6-hydroxy-3-[4-(trifluoromethyl)phenyl]inden-1-one
Names & synonyms
2-Bromo-3-(4-(trifluoromethyl)phenyl)-6-hydroxy-1H-inden-1-oneSCHEMBL8235168
Database identifiers
- PubChem CID
- 70313355
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 492
Related reactions
1 records
Compound notes
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