chempirical

Methyl 2-(trifluoromethoxy)benzoate

C9H7F3O3CAS 148437-99-4220.15 g/mol

Open in Covalent MOL file
OOOFFF
Alkyl halideEsterEther

Properties

Molecular formula
C9H7F3O3
Molar mass
220.15 g/mol
Exact mass
220.0347 Da
logP
2.37Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
148437-99-4
SMILES
COC(=O)C1=CC=CC=C1OC(F)(F)F
InChIKey
VDJYJSUDISVNRS-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O3/c1-14-8(13)6-4-2-3-5-7(6)15-9(10,11)12/h2-5H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Methyl 2-(trifluoromethoxy)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-methoxybenzoate606-45-163 % similar 2-(Trifluoromethoxy)benzamide127979-74-259 % similar Dimethyl phthalate131-11-359 % similar Methyl 2-ethoxybenzoate3686-55-356 % similar Methyl 2-acetoxybenzoate580-02-956 % similar Methyl 2-fluorobenzoate394-35-454 % similar Methyl 2-bromobenzoate610-94-651 % similar Methyl 2-methylbenzoate89-71-451 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzoic acid127817-85-0 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester136897-64-8 2-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-0 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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