3-(2',4'-Difluorobenzoyl)propionic acid

C₁₀H₈F₂O₃CAS 110931-77-6214.17 g/mol

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Aryl halide Carboxylic acid Ketone

Properties

Molecular formula: C₁₀H₈F₂O₃
Molar mass: 214.17 g/mol
Exact mass: 214.0442 Da
logP: 2.01Crippen estimate
Polar surface area: 54.4 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Identifiers

CAS number

110931-77-6

SMILES

C1=CC(=C(C=C1F)F)C(=O)CCC(=O)O

InChIKey

OKYUHFSCTFNDFB-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F2O3/c11-6-1-2-7(8(12)5-6)9(13)3-4-10(14)15/h1-2,5H,3-4H2,(H,14,15)

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Names and synonyms

1 names

3-(2,4-Difluorobenzoyl)propionic Acid

Work with 3-(2',4'-Difluorobenzoyl)propionic acid

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

3-(4-Fluorobenzoyl)propionic acid366-77-861 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-259 % similar 2-Chloro-1-(2,4-difluorophenyl)ethanone51336-94-859 % similar 1-(2,4-Difluorophenyl)-1-propanone85068-30-059 % similar 2,4-Difluorobenzoic acid1583-58-055 % similar 2,4-Difluorophenylacetic acid81228-09-355 % similar 7-Fluoro-4-chromanone113209-68-054 % similar 2,5-Difluorobenzeneacetic acid85068-27-551 % similar

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

Elsewhere

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