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

C7H5ClN4CAS 50907-46-5180.59 g/mol

Open in Covalent MOL file
NHNNNCl
Aryl halide

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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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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