1-Hydroxybenzotriazine hydrate

HCID 22018505
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Basic information

Standard SMILES
O.ON1NN=Cc2ccccc21
InChIKey
WUKCZJJINSKYMB-UHFFFAOYSA-N
Molecular formula
C7H9N3O2
Average molar mass
167.17 g/mol
Monoisotopic mass
167.06947654

Names & identifiers

Preferred name
1-Hydroxybenzotriazine hydrate
IUPAC
1-hydroxy-2H-1,2,3-benzotriazine;hydrate

Names & synonyms

1-hydroxybenzotriazine hydrateSCHEMBL5678523WUKCZJJINSKYMB-UHFFFAOYSA-N

Database identifiers

PubChem CID
22018505

Properties

Computed structural properties

Topological polar surface area
48.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
12

Related reactions

1 records
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Compound notes

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