Methyl 2-fluorophenylacetate

C9H9FO2CAS 57486-67-6168.17 g/mol

Open in Covalent MOL file
OOF
Aryl halideEster

Properties

Molecular formula
C9H9FO2
Molar mass
168.17 g/mol
Exact mass
168.0587 Da
logP
1.54Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

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

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

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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