1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide
Basic information
- CAS
71503-85-0- Standard SMILES
Cc1nn([O-])c2ccccc2[n+]1=O- InChIKey
MKBFUWNOXMDMCG-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide
- IUPAC
- 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
Names & synonyms
1,2,4-benzotriazine, 3-methyl-, 1,4-dioxide71503-85-0DTXSID40326897RefChem:214896DTXCID50278010NSC621127CHEMBL241419SCHEMBL6365684NSC-6211273-Methyl-1,4-benzotriazine 1,4-dioxide3-methyl 1,2,4-benzotriazine 1,4-dioxide3-Methyl-4-oxo-1,2,4-benzotriazin-4-ium-1(4H)-olate
Database identifiers
- CAS
71503-85-0- PubChem CID
- 359707
- DTXSID
DTXSID40326897- ChEMBL
CHEMBL241419- Nikkaji
- J1.842.022H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…