5-Fluoro-2-methoxyacetophenone

C₉H₉FO₂CAS 445-82-9168.17 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₉H₉FO₂
Molar mass: 168.17 g/mol
Exact mass: 168.0587 Da
logP: 2.04Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed89.1% of notifiers
H315 Causes skin irritation13% of notifiers
H318 Causes serious eye damage87% of notifiers
H319 Causes serious eye irritation13% of notifiers
H335 May cause respiratory irritation13% of notifiers

Aggregated from 46 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

445-82-9

SMILES

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

InChIKey

CNVGMLMIQIPAFY-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

1 names

1-(5-Fluoro-2-methoxyphenyl)ethan-1-one

Work with 5-Fluoro-2-methoxyacetophenone

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

1-(4-Fluoro-2-methoxyphenyl)ethanone51788-80-876 % similar 2',5'-Dimethoxyacetophenone1201-38-366 % similar 5-Fluoro-2-methoxybenzoic acid394-04-765 % similar 1-(5-Chloro-2-methoxyphenyl)ethanone6342-64-962 % similar 2-Amino-5-fluoroacetophenone2343-25-161 % similar 1-(2,5-Difluorophenyl)ethanone1979-36-860 % similar 2'-Methoxyacetophenone579-74-857 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-357 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(2-Fluorophenyl)propionic acid1643-26-1 2-(2-Fluoro-5-methylphenyl)acetic acid203314-27-6 5'-Fluoro-2'-hydroxypropiophenone443-09-4 Ethyl o-fluorobenzoate443-26-5 Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4 3-(3-Fluorophenyl)propionic acid458-45-7

Elsewhere

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