2-Methoxy-5-(trifluoromethoxy)benzaldehyde

C₉H₇F₃O₃CAS 145742-65-0220.15 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₉H₇F₃O₃
Molar mass: 220.15 g/mol
Exact mass: 220.0347 Da
logP: 2.41Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

145742-65-0

SMILES

COc1ccc(OC(F)(F)F)cc1C=O

InChIKey

ATRDCTRZAJKDPL-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O3/c1-14-8-3-2-7(4-6(8)5-13)15-9(10,11)12/h2-5H,1H3

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

Names and synonyms

1 names

Benzaldehyde, 2-methoxy-5-(trifluoromethoxy)-

Work with 2-Methoxy-5-(trifluoromethoxy)benzaldehyde

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

2,5-Dimethoxybenzaldehyde93-02-768 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-063 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-158 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-755 % similar 5-Chloro-2-methoxybenzaldehyde7035-09-854 % similar 2,4-Dimethoxybenzaldehyde613-45-653 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-951 % similar 4-(Trifluoromethoxy)benzaldehyde659-28-951 % 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 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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