1-(3-Bromo-2-methoxyphenyl)ethanone

C₉H₉BrO₂CAS 267651-23-0229.07 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₉H₉BrO₂
Molar mass: 229.07 g/mol
Exact mass: 227.9786 Da
logP: 2.66Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

267651-23-0

SMILES

COc1c(Br)cccc1C(C)=O

InChIKey

IBHCVANJIBGASI-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO2/c1-6(11)7-4-3-5-8(10)9(7)12-2/h3-5H,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Ethanone, 1-(3-bromo-2-methoxyphenyl)-
1-(3-Bromo-2-methoxyphenyl)ethan-1-one

Work with 1-(3-Bromo-2-methoxyphenyl)ethanone

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′-Bromoacetophenone2142-69-059 % similar 2′,3′,4′-Trimethoxyacetophenone13909-73-456 % similar 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-556 % similar 2′-Methoxyacetophenone579-74-854 % similar 2-Amino-6-bromoanisole116557-46-149 % similar 1,2-Diacetylbenzene704-00-748 % similar 3-Methoxyacetophenone586-37-847 % similar 1-(2,6-Dimethoxyphenyl)ethanone2040-04-247 % similar

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

Same formula

Methyl 3-bromo-4-methylbenzoate104901-43-1 2-(4-Bromophenyl)-1,3-dioxolane10602-01-4 Methyl 3-(bromomethyl)benzoate1129-28-8 Methyl 2-bromo-3-methylbenzoate131001-86-0 4-(Bromomethyl)phenylacetic acid13737-36-5 Methyl 4-bromo-3-methylbenzoate148547-19-7 Methyl 2-(3-bromophenyl)acetate150529-73-0 3-(2-Bromophenyl)propionic acid15115-58-9

Elsewhere

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