chempirical

4-Hydroxybenzotriazole

C6H5N3OCAS 26725-51-9135.13 g/mol

Open in Covalent MOL file
OHNNHN
Phenol

Properties

Molecular formula
C6H5N3O
Molar mass
135.13 g/mol
Exact mass
135.0433 Da
Melting point
215.5–217.5 °C
logP
0.66Crippen estimate
Polar surface area
61.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
26725-51-9
SMILES
Oc1cccc2nn[nH]c12
InChIKey
JMTMSDXUXJISAY-UHFFFAOYSA-N
InChI
InChI=1S/C6H5N3O/c10-5-3-1-2-4-6(5)8-9-7-4/h1-3,10H,(H,7,8,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 1H-Benzotriazol-7-ol
  • Benzotriazol-4-ol
  • 4-Hydroxy-1H-benzotriazole
  • 1H-1,2,3-Benzotriazol-4-ol
  • 1H-1,2,3-Benzotriazol-7-ol
  • 2H-1,2,3-Benzotriazol-4-ol
  • 1H-Benzotriazol-4-ol

Work with 4-Hydroxybenzotriazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Hydroxyquinoline578-67-638 % similar 1,5-Dihydroxynaphthalene83-56-736 % similar Pyrogallol87-66-136 % similar Catechol120-80-935 % similar 2-Chlororesorcinol6201-65-634 % similar 5-Chlorobenzotriazole94-97-334 % similar 2-Amino-4-benzothiazolol7471-03-634 % similar 5-Methylbenzotriazole136-85-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Pyrrolo[2,1-F][1,2,4]triazin-4(1H)-one159326-71-3 Furo[2,3-D]pyrimidin-4-amine186454-70-6 Hydroxybenzotriazole2592-95-2 7-Deazahypoxanthine3680-71-5 1,2,4-Triazolo[4,3-A]pyridin-3(2H)-one6969-71-7 2,1,3-Benzoxadiazol-4-amine767-63-5

Elsewhere

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