Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-

C₁₂H₁₃BrO₃CAS 102293-80-1285.14 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₂H₁₃BrO₃
Molar mass: 285.14 g/mol
Exact mass: 284.0048 Da
logP: 2.91Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

102293-80-1

SMILES

CC1(OCC2=C(O1)C=CC(=C2)C(=O)CBr)C

InChIKey

SJYXUPGLQCUYJS-UHFFFAOYSA-N

InChI

InChI=1S/C12H13BrO3/c1-12(2)15-7-9-5-8(10(14)6-13)3-4-11(9)16-12/h3-5H,6-7H2,1-2H3

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Work with Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-

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

1,1-Dimethylethyl N-[2-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-2-oxoethyl]carbamate452339-71-859 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-149 % similar (5R)-5-(2,2-Dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one452339-73-042 % similar 4-Methoxyphenacyl bromide2632-13-541 % similar 2-(Bromoacetyl)naphthalene613-54-741 % similar 4-Methylphenacyl bromide619-41-041 % similar 2-Bromo-3′-methoxyacetophenone5000-65-741 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-740 % similar

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

Elsewhere

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