2-Bromo-1-(3,4-dimethoxyphenyl)ethanone

C₁₀H₁₁BrO₃CAS 1835-02-5259.10 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₀H₁₁BrO₃
Molar mass: 259.10 g/mol
Exact mass: 257.9892 Da
logP: 2.28Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed20% of notifiers
H314 Causes severe skin burns and eye damage80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

1835-02-5

SMILES

COC1=C(C=C(C=C1)C(=O)CBr)OC

InChIKey

NUAIPKMBWNVQIM-UHFFFAOYSA-N

InChI

InChI=1S/C10H11BrO3/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h3-5H,6H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

2-Bromo-1-(3,4-dimethoxyphenyl)ethan-1-one

Work with 2-Bromo-1-(3,4-dimethoxyphenyl)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

Propioveratrone1835-04-769 % similar 2-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-366 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-164 % similar 4-Methoxyphenacyl bromide2632-13-563 % similar 2-Bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one35970-34-462 % similar 2-Bromo-3′-methoxyacetophenone5000-65-761 % similar 3-(3,4-Dimethoxy-phenyl)-3-oxo-propionic acid ethyl ester4687-37-057 % similar 3,4-Dimethoxyacetophenone1131-62-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-2',5'-dimethoxyacetophenone1204-21-3 2-Bromo-1-(2,4-dimethoxyphenyl)ethanone60965-26-6 Methyl 4-(bromomethyl)-3-methoxybenzoate70264-94-7

Elsewhere

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