2-Methyl-6-nitro-1-oxido-benzotriazol-1-ium
Basic information
- Standard SMILES
Cn1nc2ccc([N+](=O)[O-])cc2[n+]1[O-]- InChIKey
HAZVMFIPIDRRDN-UHFFFAOYSA-N- Molecular formula
- C7H6N4O3
- Average molar mass
- 194.15 g/mol
- Monoisotopic mass
- 194.04399007
Names & identifiers
- Preferred name
- 2-Methyl-6-nitro-1-oxido-benzotriazol-1-ium
- IUPAC
- 2-methyl-6-nitro-1-oxidobenzotriazol-1-ium
Names & synonyms
NSC6825602-methyl-6-nitro-1-oxido-benzotriazol-1-iumCHEMBL1991904NSC-682560NCI60_0295636-(Hydroxy(oxido)amino)-2-methyl-2,7a-dihydro-1H-1,2,3-benzotriazole 1-oxide
Database identifiers
- PubChem CID
- 388097
- ChEMBL
CHEMBL1991904
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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