2,3-Difluoro-4-methylbenzaldehyde

C₈H₆F₂OCAS 245536-50-9156.13 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₆F₂O
Molar mass: 156.13 g/mol
Exact mass: 156.0387 Da
logP: 2.09Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

245536-50-9

SMILES

CC1=C(C(=C(C=C1)C=O)F)F

InChIKey

YCTVOFSIRYUUAN-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3

Weigh it out

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

Work with 2,3-Difluoro-4-methylbenzaldehyde

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

2,3,4-Trifluorobenzaldehyde161793-17-559 % similar 5-Fluoro-2-methylbenzaldehyde22062-53-953 % similar 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-753 % similar 4-Methyl-1-naphthaldehyde33738-48-650 % similar 4-Hydroxy-2-methylbenzaldehyde41438-18-048 % similar 2,3,4-Trifluorotoluene193533-92-548 % similar 3-Chloro-2,4-difluorobenzaldehyde127675-46-147 % similar 2,4-Dimethylbenzaldehyde15764-16-647 % similar

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

Same formula

(2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-1 3',5'-Difluoroacetophenone123577-99-1 1-(2,6-Difluorophenyl)ethanone13670-99-0 5,7-Difluoro-2,3-dihydrobenzofuran175203-20-0 2',3'-Difluoroacetophenone18355-80-1 1-(2,5-Difluorophenyl)ethanone1979-36-8 1-(2,4-Difluorophenyl)ethanone364-83-0 1-(3,4-Difluorophenyl)ethanone369-33-5

Elsewhere

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