Basic information
- CAS
63197-08-0- Standard SMILES
[O-][n+]1ccnc(Br)n1- InChIKey
ZUKUGPZJPQFHQS-UHFFFAOYSA-N- Molecular formula
- C3H2BrN3O
- Average molar mass
- 175.97 g/mol
- Monoisotopic mass
- 174.93812
Names & identifiers
- Preferred name
- 3-Bromo-1-oxo-1lambda~5~,2,4-triazine
- IUPAC
- 3-bromo-1-oxido-1,2,4-triazin-1-ium
Names & synonyms
3-Bromo-1-oxo-1lambda~5~,2,4-triazine63197-08-0DTXSID00495235RefChem:277205DTXCID00446045
Database identifiers
- CAS
63197-08-0- PubChem CID
- 12377841
- DTXSID
DTXSID00495235
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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