4-Hydroxy-3-(trifluoromethoxy)benzaldehyde

C₈H₅F₃O₃CAS 53104-95-3206.12 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide Ether Phenol

Properties

Molecular formula: C₈H₅F₃O₃
Molar mass: 206.12 g/mol
Exact mass: 206.0191 Da
logP: 2.10Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

53104-95-3

SMILES

C1=CC(=C(C=C1C=O)OC(F)(F)F)O

InChIKey

GPJSLRQIOKFRFL-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3O3/c9-8(10,11)14-7-3-5(4-12)1-2-6(7)13/h1-4,13H

Weigh it out

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Work with 4-Hydroxy-3-(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

3-Fluoro-4-(trifluoromethoxy)benzaldehyde473917-15-662 % similar Vanillin121-33-559 % similar 4-Hydroxy-3-(trifluoromethyl)benzaldehyde220227-98-555 % similar Ethylvanillin121-32-455 % similar Protocatechuic aldehyde139-85-553 % similar 4-(Trifluoromethoxy)benzaldehyde659-28-953 % similar 2,2-Difluoro-5-formylbenzodioxole656-42-853 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-051 % similar

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

Same formula

3-(Trifluoromethoxy)benzoic acid1014-81-9 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-1 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-5 2-(Trifluoromethoxy)benzoic acid150436-84-3 2-(Trifluoromethoxy)benzoic acid1979-29-9 4-Hydroxy-3-(trifluoromethyl)benzoic acid220239-68-9 2-Hydroxy-3-(trifluoromethyl)benzoic acid251300-32-0 4-Hydroxy-2-(trifluoromethyl)benzoic acid320-32-1

Elsewhere

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