1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one

C₁₀H₉BrO₃CAS 52190-28-0257.08 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₀H₉BrO₃
Molar mass: 257.08 g/mol
Exact mass: 255.9735 Da
logP: 2.38Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

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

52190-28-0

SMILES

CC(C(=O)C1=CC2=C(C=C1)OCO2)Br

InChIKey

NTPQGLLTGPTOAA-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrO3/c1-6(11)10(12)7-2-3-8-9(4-7)14-5-13-8/h2-4,6H,5H2,1H3

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Names and synonyms

1 names

1-(Benzo[D][1,3]dioxol-5-yl)-2-bromopropan-1-one

Work with 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one

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

Methylone186028-79-563 % similar Eutylone802855-66-956 % similar 5-Acetyl-1,3-benzodioxole3162-29-655 % similar Dibutylone hydrochloride17763-12-153 % similar 3,4-Methylenedioxypropiophenone28281-49-453 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-153 % similar Eutylone hydrochloride17764-18-052 % similar Piperonyloyl chloride25054-53-951 % similar

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

Same formula

5-Bromo-2-methoxycinnamic acid40803-53-0 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-3 1-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one59820-90-5 4-Bromo-γ-oxobenzenebutanoic acid6340-79-0

Elsewhere

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