Basic information
- Standard SMILES
Cc1noc(-c2ccc(Br)cc2)c1CCO- InChIKey
PFMUHCZQYPZBMI-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO2
- Average molar mass
- 282.13 g/mol
Names & identifiers
- Preferred name
- 2-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-ethanol
- IUPAC
- 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]ethanol
Names & synonyms
SCHEMBL1652PFMUHCZQYPZBMI-UHFFFAOYSA-N2-[5-(4-Bromo-phenyl)-3-methyl-isoxazol-4-yl]-ethanol
Database identifiers
- PubChem CID
- 66577296
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
8 records
Compound notes
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