Basic information
- CAS
251639-76-6- Standard SMILES
[O-][n+]1cnc2ccc(Br)cc2c1-c1ccccc1- InChIKey
DJSHCIQPEYHZQN-UHFFFAOYSA-N- Molecular formula
- C14H9BrN2O
- Average molar mass
- 301.14 g/mol
- Monoisotopic mass
- 299.98983
Names & identifiers
- Preferred name
- Quinazoline, 6-bromo-4-phenyl-, 3-oxide
- IUPAC
- 6-bromo-3-oxido-4-phenylquinazolin-3-ium
Names & synonyms
Quinazoline, 6-bromo-4-phenyl-, 3-oxide251639-76-6DTXSID40346075RefChem:378401DTXCID302971486-bromo-4-phenylquinazolin-3-olAKOS002313599ST507595736-Bromo-3-oxo-4-phenyl-3lambda~5~-quinazoline
Database identifiers
- CAS
251639-76-6- PubChem CID
- 609441
- DTXSID
DTXSID40346075
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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