chempirical

2-Fluoro-4-methoxyacetophenone

C9H9FO2CAS 74457-86-6168.17 g/mol

Open in Covalent MOL file
OOF
Aryl halideEtherKetone

Properties

Molecular formula
C9H9FO2
Molar mass
168.17 g/mol
Exact mass
168.0587 Da
logP
2.04Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
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
74457-86-6
SMILES
CC(=O)C1=C(C=C(C=C1)OC)F
InChIKey
PIRRWUMTIBFCCW-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3

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Names and synonyms

1 names
  • 2'-Fluoro-4'-methoxyacetophenone

Work with 2-Fluoro-4-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-(2-Amino-4-methoxyphenyl)ethan-1-one42465-53-268 % similar 2′,4′-Dimethoxyacetophenone829-20-966 % similar 2-Fluoro-4-methoxybenzoylchloride321-24-465 % similar 2-Fluoro-4-methoxybenzoic acid394-42-365 % similar Paeonol552-41-062 % similar 2',5'-Dimethoxyacetophenone1201-38-361 % similar 1-(2,4-Difluorophenyl)ethanone364-83-060 % similar 2′-Hydroxy-5′-methoxyacetophenone705-15-758 % 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 5-Fluoro-2-methoxyacetophenone445-82-9 Ethyl 3-fluorobenzoate451-02-5 Ethyl 4-fluorobenzoate451-46-7 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-4

Elsewhere

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