chempirical

4-Methoxy-2-(trifluoromethyl)benzaldehyde

C9H7F3O2CAS 106312-36-1204.15 g/mol

Open in Covalent MOL file
OOFFF
AldehydeAlkyl halideEther

Properties

Molecular formula
C9H7F3O2
Molar mass
204.15 g/mol
Exact mass
204.0398 Da
logP
2.53Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
106312-36-1
SMILES
COC1=CC(=C(C=C1)C=O)C(F)(F)F
InChIKey
BVPVUMRIGHMFNV-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O2/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-5H,1H3

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Work with 4-Methoxy-2-(trifluoromethyl)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-Fluoro-4-methoxybenzaldehyde331-64-659 % similar 2,4-Dimethoxybenzaldehyde613-45-658 % similar 4-Fluoro-3-(trifluoromethyl)anisole127271-65-257 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-357 % similar 4-Bromo-2-(trifluoromethyl)benzaldehyde861928-27-057 % similar 2,5-Dimethoxybenzaldehyde93-02-756 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-355 % similar 2-Hydroxy-5-methoxybenzaldehyde672-13-955 % similar

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

Same formula

4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 Methyl 3-trifluoromethylbenzoate2557-13-3 4-Methyl-3-(trifluoromethyl)benzoic acid261952-01-6 [2-(Trifluoromethyl)phenyl]acetic acid3038-48-0 4-(Trifluoromethyl)benzeneacetic acid32857-62-8 [3-(Trifluoromethyl)phenyl]acetic acid351-35-9

Elsewhere

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