5-(3-Bromophenyl)-2H-tetrazole

C₇H₅BrN₄CAS 3440-99-1225.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅BrN₄
Molar mass: 225.05 g/mol
Exact mass: 223.9698 Da
Melting point: 145–146 °C (decomposes)
logP: 1.63Crippen estimate
Polar surface area: 54.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

3440-99-1

SMILES

Brc1cccc(-c2nn[nH]n2)c1

InChIKey

UVKPUDRFBHSFJH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrN4/c8-6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

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Names and synonyms

5 names

2H-Tetrazole, 5-(3-bromophenyl)-
Tetrazole, 5-(m-bromophenyl)-
1H-Tetrazole, 5-(3-bromophenyl)-
5-(m-Bromophenyl)tetrazole
5-(3-Bromophenyl)-1H-tetrazole

Work with 5-(3-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-(3-Aminophenyl)tetrazole73732-51-160 % similar 5-Phenyltetrazole18039-42-458 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-650 % similar 5-Bromo-2-(2H-tetrazol-5-yl)pyridine380380-60-947 % similar 3-Bromobiphenyl2113-57-747 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-544 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-644 % similar 3-Bromo-3′-chloro-1,1′-biphenyl844856-42-443 % similar

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

Same formula

5-(4-Bromophenyl)-2H-tetrazole50907-23-8 5-(2-Bromophenyl)-2H-tetrazole73096-42-1

Elsewhere

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