3,5-Difluoro-4-methoxybenzaldehyde

C₈H₆F₂O₂CAS 654-11-5172.13 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

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

654-11-5

SMILES

COC1=C(C=C(C=C1F)C=O)F

InChIKey

KBSLGHDKSCGXKQ-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3,5-Difluoro-4-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

3-Fluoro-4-methoxybenzaldehyde351-54-261 % similar 3-Fluoro-4-hydroxy-5-methoxybenzaldehyde79418-78-360 % similar 3,4,5-Trimethoxybenzaldehyde86-81-760 % similar 4-Methoxy-3,5-dimethylbenzaldehyde39250-90-358 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-556 % similar 3,4,5-Trifluorobenzaldehyde132123-54-755 % similar 3,5-Dimethoxybenzaldehyde7311-34-453 % similar 4-Bromo-2,6-difluoroanisole104197-14-052 % 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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