5-(2-Chlorophenyl)-2H-1,2,3,4-tetrazole

C₇H₅ClN₄CAS 50907-46-5180.59 g/mol

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Properties

Molecular formula: C₇H₅ClN₄
Molar mass: 180.59 g/mol
Exact mass: 180.0203 Da
logP: 1.52Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

50907-46-5

SMILES

C1=CC=C(C(=C1)C2=NNN=N2)Cl

InChIKey

PSUIIKIEUATWCZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

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Names and synonyms

1 names

5-(2-Chlorophenyl)-1H-tetrazole

Work with 5-(2-Chlorophenyl)-2H-1,2,3,4-tetrazole

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-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-674 % similar 5-(2,6-Dichlorophenyl)-1H-tetrazole50907-31-867 % similar Clofentezine74115-24-561 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-159 % similar 5-(2-Iodophenyl)-1H-tetrazole73096-40-958 % similar 5-Phenyltetrazole18039-42-452 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-851 % similar 5-(3-Fluorophenyl)-2H-1,2,3,4-tetrazole50907-20-547 % similar

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

Same formula

4-Chloro-6-(1H-imidazol-1-yl)pyrimidine114834-02-5 5-Chloro-1-phenyl-1H-tetrazole14210-25-4

Elsewhere

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