Methyl 3-fluorophenylacetate

C₉H₉FO₂CAS 64123-77-9168.17 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

64123-77-9

SMILES

COC(=O)CC1=CC(=CC=C1)F

InChIKey

OXYLCGRXCQARQV-UHFFFAOYSA-N

InChI

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

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Work with Methyl 3-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

Methyl 2-(3-bromophenyl)acetate150529-73-065 % similar Methyl 3-methoxyphenylacetate18927-05-465 % similar Methyl 3-hydroxyphenylacetate42058-59-365 % similar Methyl phenylacetate101-41-764 % similar 3-Fluorophenylacetone1737-19-558 % similar Methyl 2-(3,4-dichlorophenyl)acetate6725-44-658 % similar Methyl 5-fluoro-2-(2-methoxy-2-oxoethyl)benzoate2326068-11-355 % similar 3-Fluorophenylacetic acid331-25-954 % 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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