Methyl 2-fluorophenylacetate

C₉H₉FO₂CAS 57486-67-6168.17 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₉FO₂
Molar mass: 168.17 g/mol
Exact mass: 168.0587 Da
logP: 1.54Crippen estimate
Polar surface area: 26.3 Å²
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

57486-67-6

SMILES

COC(=O)CC1=CC=CC=C1F

InChIKey

TWXVEZBPKFIMBB-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3

Weigh it out

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Work with Methyl 2-fluorophenylacetate

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

Ethyl 2-fluorophenylacetate584-74-767 % similar Methyl 2-(2-bromophenyl)acetate57486-69-863 % similar Methyl (2-hydroxyphenyl)acetate22446-37-361 % similar Methyl 2-methoxybenzeneacetate27798-60-361 % similar Methyl 2-chlorobenzeneacetate57486-68-761 % similar Methyl 1-naphthylacetate2876-78-059 % similar 1-(2-Fluorophenyl)-2-propanone2836-82-057 % similar Methyl phenylacetate101-41-756 % 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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