C1=CC2=NNN=C2C(=C1)O.O
Nom: 2H-benzotriazol-4-ol;hydrate
SMILES: C1=CC2=NNN=C2C(=C1)O.O

Molecular Processing

Molecular formula
C6H7N3O2
Molecular weight
153.14
Exact mass
153.0538
XLogP
-0.16
TPSA
93.3
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0
Molar refractivity
39.17

Supplementary Information

InChIKey: ZJSQZQMVXKZAGW-UHFFFAOYSA-N
Synonymes
hydroxybenzotriazole hydratehydroxybenzotriazol hydratehydroxybenztriazole hydratehydroxybenzotriazole-hydratehydroxybenzo-triazole hydratehydroxybenzotriazole, hydrate4-hydroxybenztriazole hydrate7-hydroxybenzotriazole hydratehydroxybenzotriazol monohydrateSCHEMBL205546hydroxybenzotriazole monohydrateSCHEMBL4573586SCHEMBL30013063SCHEMBL304630274-hydroxybenzotriazole monohydrateZJSQZQMVXKZAGW-UHFFFAOYSA-N
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→