Basic information
- Standard SMILES
CC(=O)Oc1ccc2c(c1)C(=O)C(Br)=C2c1ccccc1- InChIKey
GQBWUXZYWNXBAI-UHFFFAOYSA-N- Molecular formula
- C17H11BrO3
- Average molar mass
- 343.2 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-1-oxo-3-phenyl-1H-inden-6-yl acetate
- IUPAC
- (2-bromo-3-oxo-1-phenylinden-5-yl) acetate
Names & synonyms
SCHEMBL8234936GQBWUXZYWNXBAI-UHFFFAOYSA-N2-Bromo-1-oxo-3-phenyl-1H-inden-6-yl acetate
Database identifiers
- PubChem CID
- 70313241
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 476
Related reactions
9 records
Compound notes
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