4,5-Difluoro-2-methoxybenzaldehyde

C₈H₆F₂O₂CAS 145742-34-3172.13 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
logP: 1.79Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

145742-34-3

SMILES

COC1=CC(=C(C=C1C=O)F)F

InChIKey

ZCLXUHQRYFUSLE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-4H,1H3

Weigh it out

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

Work with 4,5-Difluoro-2-methoxybenzaldehyde

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

2,5-Difluoro-4-methoxybenzaldehyde879093-08-077 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-066 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-759 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-159 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-959 % similar 2,4,5-Trifluorobenzaldehyde165047-24-555 % similar 2,5-Dimethoxybenzaldehyde93-02-755 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-554 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 Methyl 2,6-difluorobenzoate13671-00-6 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

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