4,5-Dibromo-1H-1,2,3-triazole

C₂HBr₂N₃CAS 15294-81-2226.86 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂HBr₂N₃
Molar mass: 226.86 g/mol
Exact mass: 224.8537 Da
logP: 1.33Crippen estimate
Polar surface area: 41.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

15294-81-2

SMILES

C1(=NNN=C1Br)Br

InChIKey

GUQUYKTWVBJKFL-UHFFFAOYSA-N

InChI

InChI=1S/C2HBr2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)

Weigh it out

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Work with 4,5-Dibromo-1H-1,2,3-triazole

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

3,4,5-Tribromo-1H-pyrazole17635-44-836 % similar 3-Bromo-1H-indazole40598-94-531 % similar 2,4,5-Tribromoimidazole2034-22-230 % similar

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

Same formula

3,5-Dibromo-4H-1,2,4-triazole7411-23-6

Elsewhere

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