2-Methoxy-4-(trifluoromethyl)benzaldehyde

C₉H₇F₃O₂CAS 132927-09-4204.15 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₉H₇F₃O₂
Molar mass: 204.15 g/mol
Exact mass: 204.0398 Da
logP: 2.53Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

132927-09-4

SMILES

COc1cc(C(F)(F)F)ccc1C=O

InChIKey

KKESHHUPAFNMPH-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O2/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-5H,1H3

Weigh it out

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

Names and synonyms

1 names

Benzaldehyde, 2-methoxy-4-(trifluoromethyl)-

Work with 2-Methoxy-4-(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

4-Fluoro-2-methoxybenzaldehyde450-83-959 % similar 2,4-Dimethoxybenzaldehyde613-45-658 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-957 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-755 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-254 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-553 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-051 % similar 2-Bromo-5-(trifluoromethyl)benzaldehyde102684-91-351 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 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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