chempirical

Methyl 3-(trifluoromethoxy)benzoate

C9H7F3O3CAS 148438-00-0220.15 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
148438-00-0
SMILES
COC(=O)C1=CC(=CC=C1)OC(F)(F)F
InChIKey
YWSQRIKZJLRGPT-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O3/c1-14-8(13)6-3-2-4-7(5-6)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 3-(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 m-methoxybenzoate5368-81-067 % similar Dimethyl isophthalate1459-93-464 % similar Methyl 3-trifluoromethylbenzoate2557-13-362 % similar Methyl m-fluorobenzoate455-68-559 % similar m-Chlorobenzoic acid methyl ester2905-65-955 % similar Methyl 3-bromobenzoate618-89-355 % similar Methyl m-toluate99-36-555 % similar Methyl 3-hydroxybenzoate19438-10-954 % 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 2-(trifluoromethoxy)benzoate148437-99-4 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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