chempirical

2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one

C10H9BrO3CAS 4629-54-3257.08 g/mol

Open in Covalent MOL file
OOOBr
Alkyl halideEtherKetone

Properties

Molecular formula
C10H9BrO3
Molar mass
257.08 g/mol
Exact mass
255.9735 Da
logP
2.04Crippen estimate
Polar surface area
35.5 Ų
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
4629-54-3
SMILES
C1COC2=C(O1)C=CC(=C2)C(=O)CBr
InChIKey
CSSHRKYOZTZFCX-UHFFFAOYSA-N
InChI
InChI=1S/C10H9BrO3/c11-6-8(12)7-1-2-9-10(5-7)14-4-3-13-9/h1-2,5H,3-4,6H2

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Work with 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-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

2-Bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one35970-34-487 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-184 % similar 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone1835-02-566 % similar 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-157 % similar 2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid4442-54-057 % similar 3,4-Methylenedioxypropiophenone28281-49-454 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-753 % similar 2-Bromo-1-(3,4-dichlorophenyl)ethanone2632-10-253 % similar

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

Same formula

5-Bromo-2-methoxycinnamic acid40803-53-0 1-(Benzo(d)(1,3)dioxol-5-yl)-2-bromopropan-1-one52190-28-0 4-Bromo-γ-oxobenzenebutanoic acid6340-79-0

Elsewhere

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