Basic information
- Standard SMILES
CC(Br)C(=O)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2- InChIKey
PFSJOYGNLMLSMV-UHFFFAOYSA-N- Molecular formula
- C22H17BrO3
- Average molar mass
- 409.3 g/mol
- Monoisotopic mass
- 408.03611
Names & identifiers
- Preferred name
- 2-Bromo-1-(2,2-diphenyl-benzo(1,3)dioxol-5-yl)-propan-1-one
- IUPAC
- 2-bromo-1-(2,2-diphenyl-1,3-benzodioxol-5-yl)propan-1-one
Names & synonyms
SCHEMBL5595558PFSJOYGNLMLSMV-UHFFFAOYSA-N2-bromo-1-(2,2-diphenyl-benzo(1,3)dioxol-5-yl)-propan-1-one
Database identifiers
- PubChem CID
- 22225757
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 478
Related reactions
2 records
Compound notes
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