5-Chloro-1-phenyl-1H-tetrazole

C₇H₅ClN₄CAS 14210-25-4180.60 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅ClN₄
Molar mass: 180.60 g/mol
Exact mass: 180.0203 Da
Melting point: 122–124 °C
logP: 1.32Crippen estimate
Polar surface area: 43.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

14210-25-4

SMILES

Clc1nnnn1-c1ccccc1

InChIKey

DHELIGKVOGTMGF-UHFFFAOYSA-N

InChI

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

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Names and synonyms

4 names

1H-Tetrazole, 5-chloro-1-phenyl-
5-Chloro-1-phenyltetrazole
1-Phenyl-5-chlorotetrazole
N-Phenyl-5-chlorotetrazole

Work with 5-Chloro-1-phenyl-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

5,5′-Dithiobis[1-phenyl-1H-tetrazole]5117-07-755 % similar 1-Phenyl-5-mercaptotetrazole86-93-155 % similar 5-Chloro-3-methyl-1-phenyl-1H-pyrazole1131-17-539 % similar 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-138 % similar Chloridazon1698-60-837 % similar 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone1698-53-935 % similar (1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-434 % similar 1,2-Dihydro-1-(4-hydroxyphenyl)-5H-tetrazole-5-thione52431-78-434 % 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

Elsewhere

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