4-Methoxy-3-(trifluoromethyl)benzaldehyde

C₉H₇F₃O₂CAS 50823-87-5204.15 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

50823-87-5

SMILES

COc1ccc(C=O)cc1C(F)(F)F

InChIKey

UMZQFCFPWAFMRL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzaldehyde, 4-methoxy-3-(trifluoromethyl)-
3-Trifluoromethyl-4-methoxybenzaldehyde
4-Methoxy-3-trifluoromethylbenzaldehyde

Work with 4-Methoxy-3-(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

3-Fluoro-4-methoxybenzaldehyde351-54-259 % similar 4-Methoxy-3-methylbenzaldehyde32723-67-457 % similar 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-057 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-555 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-655 % similar 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-655 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-055 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-755 % 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 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

Elsewhere

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