4-[(2-Chloro-6-fluorobenzyl)oxy]-3-methoxybenzaldehyde

C₁₅H₁₂ClFO₃CAS 306934-75-8294.71 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₅H₁₂ClFO₃
Molar mass: 294.71 g/mol
Exact mass: 294.0459 Da
logP: 3.88Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

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

306934-75-8

SMILES

COc1cc(C=O)ccc1OCc1c(F)cccc1Cl

InChIKey

GYBXSWQBJQILED-UHFFFAOYSA-N

InChI

InChI=1S/C15H12ClFO3/c1-19-15-7-10(8-18)5-6-14(15)20-9-11-12(16)3-2-4-13(11)17/h2-8H,9H2,1H3

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Names and synonyms

2 names

4-[(2-Chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
Benzaldehyde, 4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxy-

Work with 4-[(2-Chloro-6-fluorobenzyl)oxy]-3-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

4-[(2-Chloro-6-fluorophenyl)methoxy]benzaldehyde172932-10-465 % similar 4-(Benzyloxy)-3-methoxybenzaldehyde2426-87-159 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-759 % similar 4-[(4-Chlorobenzyl)oxy]-3-methoxybenzenecarbaldehyde70205-04-859 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-554 % similar 4-Chloro-3-methoxybenzaldehyde13726-16-454 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-254 % similar 3-Chloro-4-methoxybenzaldehyde4903-09-754 % similar

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

Elsewhere

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