2,5-Difluoro-4-methoxybenzaldehyde

C₈H₆F₂O₂CAS 879093-08-0172.13 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

879093-08-0

SMILES

COc1cc(F)c(C=O)cc1F

InChIKey

DCGKDDVUUMOTDH-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

Benzaldehyde, 2,5-difluoro-4-methoxy-

Work with 2,5-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

1,4-Difluoro-2,5-dimethoxybenzene199866-90-563 % similar 2,4,5-Trifluorobenzaldehyde165047-24-559 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-357 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-557 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-657 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-257 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-053 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-153 % 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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