chempirical

5-Bromo-2-iodotoluene

C7H6BrICAS 116632-39-4296.93 g/mol

Open in Covalent MOL file
BrI
Aryl halide

Properties

Molecular formula
C7H6BrI
Molar mass
296.93 g/mol
Exact mass
295.8698 Da
logP
3.36Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
116632-39-4
SMILES
CC1=C(C=CC(=C1)Br)I
InChIKey
GHTUADBHTFHMNI-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrI/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

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Work with 5-Bromo-2-iodotoluene

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

2,5-Dibromotoluene615-59-858 % similar 1-Iodo-2,4-dimethylbenzene4214-28-254 % similar 4-Bromo-2-fluoro-1-iodobenzene105931-73-554 % similar 4-Bromo-2-methylphenol2362-12-154 % similar 4-Bromo-2-chloro-1-iodobenzene31928-47-954 % similar 4-Bromo-1-fluoro-2-methylbenzene51437-00-454 % similar 5-Bromo-2-chlorotoluene54932-72-854 % similar 4-Bromo-2-methylaniline583-75-554 % similar

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

Same formula

4-Iodobenzyl bromide16004-15-2

Elsewhere

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