5-Chloromethyl-1H-tetrazole

C₂H₃ClN₄CAS 55408-11-2118.52 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₃ClN₄
Molar mass: 118.52 g/mol
Exact mass: 118.0046 Da
logP: -0.06Crippen 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

55408-11-2

SMILES

C(C1=NNN=N1)Cl

InChIKey

AGWSISOYPHROLN-UHFFFAOYSA-N

InChI

InChI=1S/C2H3ClN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)

Weigh it out

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

Work with 5-Chloromethyl-1H-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-Chloroethyl)-2H-tetrazole18755-46-960 % similar 5-Benzyl-1H-tetrazole18489-25-343 % similar Tetrazole-5-acetic acid21743-75-943 % similar Ethyl 2-(2H-1,2,3,4-tetraazol-5-yl)acetate13616-37-036 % similar 5-Methyl-2H-tetrazole4076-36-235 % similar Aminotetrazole5378-49-435 % similar 5-Ethylthio-1H-tetrazole89797-68-232 % similar 5-[4-(2H-Tetrazol-5-yl)phenyl]-2H-tetrazole6926-49-432 % similar

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

Elsewhere

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