1,1,3-Tribromo-2-propanone

C₃H₃Br₃OCAS 3475-39-6294.77 g/mol

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Alkyl halide Ketone

Properties

Molecular formula: C₃H₃Br₃O
Molar mass: 294.77 g/mol
Exact mass: 291.7734 Da
logP: 2.07Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

3475-39-6

SMILES

C(C(=O)C(Br)Br)Br

InChIKey

FNYCCOFOQIUTIM-UHFFFAOYSA-N

InChI

InChI=1S/C3H3Br3O/c4-1-2(7)3(5)6/h3H,1H2

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Names and synonyms

1 names

1,1,3-Tribromoacetone

Work with 1,1,3-Tribromo-2-propanone

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

1-Bromo-3-methylbutan-2-one19967-55-652 % similar 1,1,3,3-Tetrabromoacetone22612-89-138 % similar 1,4-Dibromo-2,3-butanedione6305-43-738 % similar 1,3-Dibromo-2-propanone816-39-738 % similar Bromoacetyl bromide598-21-035 % similar Bromoacetic anhydride13094-51-433 % similar 2-Bromocyclopentanone21943-50-033 % similar Bromoacetyl chloride22118-09-833 % similar

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

Elsewhere

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