chempirical

5-(4-Bromophenyl)-2H-tetrazole

C7H5BrN4CAS 50907-23-8225.05 g/mol

Open in Covalent MOL file
BrNNNHN
Aryl halide

Properties

Molecular formula
C7H5BrN4
Molar mass
225.05 g/mol
Exact mass
223.9698 Da
Melting point
260.6–261 °C
logP
1.63Crippen estimate
Polar surface area
54.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
50907-23-8
SMILES
Brc1ccc(-c2nn[nH]n2)cc1
InChIKey
YMZMDMWMKVPGDP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

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Names and synonyms

10 names
  • 2H-Tetrazole, 5-(4-bromophenyl)-
  • 1H-Tetrazole, 5-(4-bromophenyl)-
  • Tetrazole, 5-(p-bromophenyl)-
  • 5-(p-Bromophenyl)-1H-tetrazole
  • 5-(p-Bromophenyl)tetrazole
  • 5-(4-Bromophenyl)-1H-tetrazole
  • 5-(4-Bromophenyl)tetrazole
  • 5-Bromo-2-(tetrazol-5-yl)benzene
  • 5-(4′-Bromophenyl)tetrazole
  • 5-(4′-Bromophenyl)-1H-tetrazole

Work with 5-(4-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-Phenyltetrazole18039-42-461 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-560 % similar 5-Bromo-2-(2H-tetrazol-5-yl)pyridine380380-60-958 % similar 5-(4-Methoxyphenyl)-2H-tetrazole6926-51-855 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-647 % similar 5-(3-Aminophenyl)tetrazole73732-51-144 % similar 4,4′-Dibromobiphenyl92-86-444 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-842 % similar

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

Same formula

5-(3-Bromophenyl)-2H-tetrazole3440-99-1 5-(2-Bromophenyl)-2H-tetrazole73096-42-1

Elsewhere

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