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

C₆H₄ClN₃OCAS 26198-19-6169.57 g/mol

Open in Covalent MOL file

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

Hazards

Danger

H203 (Deleted) Explosive; fire, blast or projection hazard97.6% of notifiers
H302 Harmful if swallowed100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P230, P240, P250, P264, P270, P280, P301+P317, P330, P370+P380, P372, P373, P401, P501

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

Weigh it out

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

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 (6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate893413-42-841 % similar 5-Chlorobenzotriazole94-97-340 % similar 6-Chloroquinoxaline5448-43-139 % similar Benzotriazol-1-yl-(2,4-dichloro-phenyl)-methanone200626-61-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

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