6-Chloro-1-hydroxy-1H-benzotriazole

C₆H₄ClN₃OCAS 26198-19-6169.57 g/mol

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Properties

Molecular formula: C₆H₄ClN₃O
Molar mass: 169.57 g/mol
Exact mass: 169.0043 Da
logP: 1.32Crippen estimate
Polar surface area: 50.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Identifiers

CAS number

26198-19-6

SMILES

C1=CC2=C(C=C1Cl)N(N=N2)O

InChIKey

TZCYLJGNWDVJRA-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClN3O/c7-4-1-2-5-6(3-4)10(11)9-8-5/h1-3,11H

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Names and synonyms

1 names

6-Chloro-1-hydroxibenzotriazol

Work with 6-Chloro-1-hydroxy-1H-benzotriazole

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

1-Hydroxy-6-(trifluoromethyl)benzotriazole26198-21-053 % similar Hydroxybenzotriazole2592-95-252 % similar 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-947 % similar 1-Hydroxybenzotriazole hydrate80029-43-247 % similar 5-Chlorobenzotriazole94-97-340 % similar Benzotriazol-1-yl-(2,4-dichloro-phenyl)-methanone200626-61-538 % similar 5-Chlorobenzo-2,1,3-thiadiazole2207-32-138 % similar 4,6-Dichloroquinoline4203-18-338 % similar

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

Same formula

4-Chloro-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one346599-63-1

Elsewhere

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