Methyl 2-fluoro-3-methylbenzoate

C₉H₉FO₂CAS 586374-04-1168.17 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: 1.92Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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

586374-04-1

SMILES

CC1=C(C(=CC=C1)C(=O)OC)F

InChIKey

POZOQUQLMIPBQP-UHFFFAOYSA-N

InChI

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

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Work with Methyl 2-fluoro-3-methylbenzoate

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 3-amino-2-fluorobenzoate1195768-18-367 % similar Methyl 3-bromo-2-fluorobenzoate206551-41-967 % similar Methyl 2-methylbenzoate89-71-467 % similar 2-Carbomethoxy-6-methylaniline22223-49-064 % similar Methyl 2-bromo-3-methylbenzoate131001-86-062 % similar Methyl o-cresotinate23287-26-562 % similar 2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-957 % similar 2-Fluoro-3-methylbenzoic acid315-31-157 % 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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