1-(3-Bromo-4-methoxyphenyl)ethanone

C₉H₉BrO₂CAS 35310-75-9229.07 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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

35310-75-9

SMILES

CC(=O)C1=CC(=C(C=C1)OC)Br

InChIKey

JYPGOBDETCKKKV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1-(3-Bromo-4-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

3,4-Dimethoxyacetophenone1131-62-070 % similar Methyl 3-bromo-4-methoxybenzoate35450-37-465 % similar 3-Bromo-4-methoxybenzoic acid99-58-165 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-462 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-962 % similar 3'-Iodo-4'-methoxyacetophenone79324-77-962 % similar 2-Acetyl-5-bromo-6-methoxynaphthalene84167-74-861 % similar 1-(4-Methoxy-3-nitrophenyl)ethanone6277-38-959 % 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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