Basic information
- Standard SMILES
BrCc1ccc(-c2nc3ccccc3o2)cc1Br- InChIKey
FYPBYAPPCITPAW-UHFFFAOYSA-N- Molecular formula
- C14H9Br2NO
- Average molar mass
- 367.03 g/mol
Names & identifiers
- Preferred name
- 2-[3-Bromo-4-(bromomethyl)phenyl]-1,3-benzoxazole
- IUPAC
- 2-[3-bromo-4-(bromomethyl)phenyl]-1,3-benzoxazole
Names & synonyms
SCHEMBL5832686FYPBYAPPCITPAW-UHFFFAOYSA-N2-[3-bromo-4-(bromomethyl)phenyl]-1,3-benzoxazole
Database identifiers
- PubChem CID
- 21990988
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
4 records
Compound notes
Loading…