Basic information
- Standard SMILES
Oc1ccc(-c2noc3cc(Br)ccc23)cc1- InChIKey
GTKGLJCKZHJONY-UHFFFAOYSA-N- Molecular formula
- C13H8BrNO2
- Average molar mass
- 290.11 g/mol
- Monoisotopic mass
- 288.97384
Names & identifiers
- Preferred name
- 4-(6-Bromo-benzo[d]isoxazol-3-yl)-phenol
- IUPAC
- 4-(6-bromo-1,2-benzoxazol-3-yl)phenol
Names & synonyms
SCHEMBL4219293GTKGLJCKZHJONY-UHFFFAOYSA-N4-(6-bromo-benzo[d]isoxazol3-yl)-phenol4-(6-bromo-1,2-benzisoxazol-3-yl)phenol4-(6-bromo-benzo[d]isoxazol-3-yl)-phenol
Database identifiers
- PubChem CID
- 136365325
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
Related reactions
3 records
Compound notes
Loading…