5-(2-Chloroethyl)-2H-tetrazole

C₃H₅ClN₄CAS 18755-46-9132.55 g/mol

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Properties

Molecular formula: C₃H₅ClN₄
Molar mass: 132.55 g/mol
Exact mass: 132.0203 Da
logP: -0.02Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

18755-46-9

SMILES

ClCCc1nn[nH]n1

InChIKey

YZQCWPFTAAUGPS-UHFFFAOYSA-N

InChI

InChI=1S/C3H5ClN4/c4-2-1-3-5-7-8-6-3/h1-2H2,(H,5,6,7,8)

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Names and synonyms

4 names

2H-Tetrazole, 5-(2-chloroethyl)-
5-(2-Chloroethyl)-1H-tetrazole
1H-Tetrazole, 5-(2-chloroethyl)-
5-(2-Chloroethyl)tetrazole

Work with 5-(2-Chloroethyl)-2H-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

Tetrazole-5-acetic acid21743-75-941 % similar 5-Methyl-2H-tetrazole4076-36-232 % similar 5-Ethylthio-1H-tetrazole89797-68-230 % similar

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

Elsewhere

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