Basic information
- CAS
63197-07-9- Standard SMILES
[O-][n+]1ccnc(Cl)n1- InChIKey
PVEXYEQTAAZCOB-UHFFFAOYSA-N- Molecular formula
- C3H2ClN3O
- Average molar mass
- 131.52 g/mol
- Monoisotopic mass
- 130.9886394
Names & identifiers
- Preferred name
- 3-Chloro-1-oxo-1lambda~5~,2,4-triazine
- IUPAC
- 3-chloro-1-oxido-1,2,4-triazin-1-ium
Names & synonyms
3-Chloro-1-oxo-1lambda~5~,2,4-triazine63197-07-9DTXSID40495234RefChem:278076DTXCID40446044
Database identifiers
- CAS
63197-07-9- PubChem CID
- 12377840
- DTXSID
DTXSID40495234
Properties
Computed structural properties
- XLogP
- -0.3
- 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
Loading…