Methyl 5-fluoro-2-(2-methoxy-2-oxoethyl)benzoate

C₁₁H₁₁FO₄CAS 2326068-11-3226.20 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₁FO₄
Molar mass: 226.20 g/mol
Exact mass: 226.0641 Da
logP: 1.33Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

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

2326068-11-3

SMILES

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

InChIKey

MFNMAVPCIBTFRK-UHFFFAOYSA-N

InChI

InChI=1S/C11H11FO4/c1-15-10(13)5-7-3-4-8(12)6-9(7)11(14)16-2/h3-4,6H,5H2,1-2H3

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Names and synonyms

1 names

Benzeneacetic acid, 4-fluoro-2-(methoxycarbonyl)-, methyl ester

Work with Methyl 5-fluoro-2-(2-methoxy-2-oxoethyl)benzoate

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-amino-5-fluorobenzoate319-24-457 % similar Methyl 5-fluoro-2-hydroxybenzoate391-92-457 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-857 % similar Methyl 2-(bromomethyl)-4-fluorobenzoate157652-28-357 % similar Methyl 2,4-difluorobenzoate106614-28-256 % similar Methyl 2-amino-4-fluorobenzoate2475-81-255 % similar Methyl 3-fluorophenylacetate64123-77-955 % similar Methyl 4-fluoro-2-methoxybenzoate204707-42-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Fluoro-4-methoxy-γ-oxobenzenebutanoic acid347-63-7

Elsewhere

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