6-Bromo-2-(bromomethyl)benzo[d]oxazole
Basic information
- CAS
138128-80-0- Standard SMILES
BrCc1nc2ccc(Br)cc2o1- InChIKey
UPIJNSULZZGMMK-UHFFFAOYSA-N- Molecular formula
- C8H5Br2NO
- Average molar mass
- 290.94 g/mol
- Monoisotopic mass
- 288.87379
Names & identifiers
- Preferred name
- 6-Bromo-2-(bromomethyl)benzo[d]oxazole
- IUPAC
- 6-bromo-2-(bromomethyl)-1,3-benzoxazole
- English name
- 6-bromo-2-(bromomethyl)benzo[d]oxazole
- Molecular formula
- C8H5Br2NO
- Molecular weight
- 290.94
Names & synonyms
6-bromo-2-(bromomethyl)benzo[d]oxazole138128-80-06-bromo-2-(bromomethyl)-1,3-benzoxazoleSCHEMBL179553566-Bromo-2-(bromomethyl)benzoxazoleDB-207456Benzoxazole, 6-bromo-2-(bromomethyl)-
Database identifiers
- CAS
138128-80-0- PubChem CID
- 15133752
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Boiling point
- 313.2 · 313.2±22.0 °C(Predicted)
- Density
- 2.003 · 2.003±0.06 g/cm3(Predicted)
- pka
- -0.73 · -0.73±0.30(Predicted)
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Compound notes
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