Basic information
- Standard SMILES
O=C1c2c(Cl)cc(Br)cc2CN1Cc1ccc(C(F)(F)F)cc1- InChIKey
IJDIIQYDIPBWAC-UHFFFAOYSA-N- Molecular formula
- C16H10BrClF3NO
- Average molar mass
- 404.61 g/mol
- Monoisotopic mass
- 402.95864
Names & identifiers
- Preferred name
- 5-Bromo-7-chloro-2-(4-trifluoromethyl-benzyl)-2,3-dihydro-isoindol-1-one
- IUPAC
- 5-bromo-7-chloro-2-[[4-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
Names & synonyms
5-bromo-7-chloro-2-(4-trifluoromethyl-benzyl)-2,3-dihydro-isoindol-1-oneSCHEMBL2022310
Database identifiers
- PubChem CID
- 11632807
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 453
Related reactions
4 records
Compound notes
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