chempirical

2-Trifluoromethoxy-4-methoxybenzaldehyde

C9H7F3O3CAS 886503-52-2220.15 g/mol

Open in Covalent MOL file
OOOFFF
AldehydeAlkyl halideEther

Properties

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

Hazards

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

Identifiers

CAS number
886503-52-2
SMILES
COC1=CC(=C(C=C1)C=O)OC(F)(F)F
InChIKey
NPUIWDQXZDLZIM-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O3/c1-14-7-3-2-6(5-13)8(4-7)15-9(10,11)12/h2-5H,1H3

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Names and synonyms

1 names
  • 4-Methoxy-2-(trifluoromethoxy)benzaldehyde

Work with 2-Trifluoromethoxy-4-methoxybenzaldehyde

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

2,4-Dimethoxybenzaldehyde613-45-669 % similar 4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-160 % similar 4-Bromo-2-(trifluoromethoxy)benzaldehyde220996-80-560 % similar 4-Methoxy-2-methylbenzaldehyde52289-54-058 % similar 2,5-Dimethoxybenzaldehyde93-02-757 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-656 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-354 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-353 % 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 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

Elsewhere

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