Basic information
- Standard SMILES
CC(=O)c1cc(Br)cc2nc(-c3ccc(I)cc3)oc12- InChIKey
QZVUVIQCCSQLIS-UHFFFAOYSA-N- Molecular formula
- C15H9BrINO2
- Average molar mass
- 442.04 g/mol
- Monoisotopic mass
- 440.88614
Names & identifiers
- Preferred name
- 1-[5-Bromo-2-(4-iodophenyl)-1,3-benzoxazol-7-yl]ethanone
- IUPAC
- 1-[5-bromo-2-(4-iodophenyl)-1,3-benzoxazol-7-yl]ethanone
Names & synonyms
SCHEMBL1734844
Database identifiers
- PubChem CID
- 67140754
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
1 records
Compound notes
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