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

C9H7F3O3CAS 136897-64-8220.15 g/mol

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Aryl halideEsterEther

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Methyl 2,3,4,5-tetrafluorobenzoate5292-42-271 % similar 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 Methyl 2-amino-4,5-difluorobenzoate207346-42-758 % similar 2,3,5,6-Tetrafluoroanisole2324-98-358 % similar Methyl 2-bromo-4,5-difluorobenzoate878207-28-453 % similar Methyl 2-amino-4-chloro-5-fluorobenzoate104901-79-351 % 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 3-(Trifluoromethoxy)phenylacetic Acid203302-97-0 4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-5 2-(Trifluoromethoxy)benzeneacetic acid220239-67-8 3-Methoxy-4-(trifluoromethyl)benzoic acid276861-63-3

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