chempirical

5-(2-Bromophenyl)-2H-tetrazole

C7H5BrN4CAS 73096-42-1225.05 g/mol

Open in Covalent MOL file
BrNNHNN
Aryl halide

Properties

Molecular formula
C7H5BrN4
Molar mass
225.05 g/mol
Exact mass
223.9698 Da
Melting point
174–176 °C
logP
1.63Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
73096-42-1
SMILES
Brc1ccccc1-c1nn[nH]n1
InChIKey
YHVBXKTXLJTDRI-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN4/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

6 names
  • 2H-Tetrazole, 5-(2-bromophenyl)-
  • 1H-Tetrazole, 5-(2-bromophenyl)-
  • Tetrazole, 5-(o-bromophenyl)-
  • 5-(o-Bromophenyl)tetrazole
  • 5-(2-Bromophenyl)-1H-tetrazole
  • 5-(2-Bromophenyl)tetrazole

Work with 5-(2-Bromophenyl)-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

5-Phenyltetrazole18039-42-453 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-853 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-651 % similar 2,2′-Dibromobiphenyl13029-09-946 % similar 5-Bromo-2-(2H-tetrazol-5-yl)pyridine380380-60-943 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-642 % similar 2-Bromobiphenyl2052-07-540 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-540 % similar

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

Same formula

5-(3-Bromophenyl)-2H-tetrazole3440-99-1 5-(4-Bromophenyl)-2H-tetrazole50907-23-8

Elsewhere

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