2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester

C₉H₇F₃O₃CAS 136897-64-8220.15 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₉H₇F₃O₃
Molar mass: 220.15 g/mol
Exact mass: 220.0347 Da
logP: 1.90Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

136897-64-8

SMILES

COC1=C(C(=CC(=C1F)F)C(=O)OC)F

InChIKey

WRNVSUJHRFXTKQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O3/c1-14-8-6(11)4(9(13)15-2)3-5(10)7(8)12/h3H,1-2H3

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Names and synonyms

1 names

Methyl 3-methoxy-2,4,5-trifluorobenzoate

Work with 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester

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-Methoxy-2,4,5-trifluorobenzoic acid11281-65-564 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-164 % similar 2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-264 % similar 2,3,5,6-Tetrafluoroanisole2324-98-358 % similar Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-351 % similar Methyl 2,4-difluorobenzoate106614-28-249 % similar Dimethyl 2-fluoroterephthalate5292-47-749 % similar Methyl 2-fluorobenzoate394-35-449 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzoic acid127817-85-0 2-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-0 Methyl 2-(trifluoromethoxy)benzoate148437-99-4 Methyl 3-(trifluoromethoxy)benzoate148438-00-0 4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-5 2-(Trifluoromethoxy)benzeneacetic acid220239-67-8 4-(Trifluoromethyl)mandelic acid395-35-7 3-Methoxy-5-(trifluoromethyl)benzoic acid53985-48-1

Elsewhere

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