Basic information
- CAS
83702-32-3- Standard SMILES
O=c1n[n+]([O-])c2ccccc2n1COCCO- InChIKey
FOXSSNNQPQZHKB-UHFFFAOYSA-N- Molecular formula
- C10H11N3O4
- Average molar mass
- 237.21 g/mol
- Monoisotopic mass
- 237.07495584
Names & identifiers
- Preferred name
- 4-[(2-Hydroxyethoxy)methyl]-1-oxo-1lambda~5~,2,4-benzotriazin-3(4H)-one
- IUPAC
- 4-(2-hydroxyethoxymethyl)-1-oxido-1,2,4-benzotriazin-1-ium-3-one
Names & synonyms
83702-32-3NSC338596DTXSID603190294-[(2-Hydroxyethoxy)methyl]-1-oxo-1lambda~5~,2,4-benzotriazin-3(4H)-oneNSC-338596
Database identifiers
- CAS
83702-32-3- PubChem CID
- 334205
- DTXSID
DTXSID60319029
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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