3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one
Basic information
- CAS
64908-56-1- Standard SMILES
O=C(On1nnc2ccccc2c1=O)c1ccccc1- InChIKey
MHAJVGQBCLUABD-UHFFFAOYSA-N- Molecular formula
- C14H9N3O3
- Average molar mass
- 267.24 g/mol
- Monoisotopic mass
- 267.06439116
Names & identifiers
- Preferred name
- 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one
- IUPAC
- (4-oxo-1,2,3-benzotriazin-3-yl) benzoate
Names & synonyms
3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one64908-56-1DTXSID10316326RefChem:275106DTXCID50267449NSC302069(4-oxo-1,2,3-benzotriazin-3-yl) benzoateNSC-3020694-Oxo-1,2,3-benzotriazin-3(4H)-yl benzoateAI-204/317240641,2,3-Benzotriazin-4(3H)-one, 3-(benzoyloxy)-
Database identifiers
- CAS
64908-56-1- PubChem CID
- 327358
- DTXSID
DTXSID10316326- Nikkaji
- J1.695.261C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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