Basic information
- Standard SMILES
CC1(C)COc2c(Br)cc(-c3ncco3)cc21- InChIKey
KNZQZJZCBOWGSW-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO2
- Average molar mass
- 294.14 g/mol
Names & identifiers
- Preferred name
- 2-(7-Bromo-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-oxazole
- IUPAC
- 2-(7-bromo-3,3-dimethyl-2H-1-benzofuran-5-yl)-1,3-oxazole
Names & synonyms
SCHEMBL5655234KNZQZJZCBOWGSW-UHFFFAOYSA-N2-(7-Bromo-3,3-dimethyl-2,3-dihydro-benzofuran-5-yl)-oxazole
Database identifiers
- PubChem CID
- 18445397
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
1 records
Compound notes
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