4-[(2-Chloro-6-fluorophenyl)methoxy]benzaldehyde

C₁₄H₁₀ClFO₂CAS 172932-10-4264.68 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₄H₁₀ClFO₂
Molar mass: 264.68 g/mol
Exact mass: 264.0353 Da
logP: 3.87Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H400 Very toxic to aquatic life92.7% of notifiers
H410 Very toxic to aquatic life with long lasting effects92.7% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

172932-10-4

SMILES

C1=CC(=C(C(=C1)Cl)COC2=CC=C(C=C2)C=O)F

InChIKey

WOUZCDNRKXWPDY-UHFFFAOYSA-N

InChI

InChI=1S/C14H10ClFO2/c15-13-2-1-3-14(16)12(13)9-18-11-6-4-10(8-17)5-7-11/h1-8H,9H2

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Names and synonyms

1 names

4-(2-Chloro-6-fluorobenzyloxy)benzaldehyde

Work with 4-[(2-Chloro-6-fluorophenyl)methoxy]benzaldehyde

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]-3-methoxybenzaldehyde306934-75-865 % similar 4-[(2-Fluorophenyl)methoxy]benzaldehyde70627-20-262 % similar 4-[(2-Chloro-6-fluorophenyl)methoxy]benzeneacetonitrile175135-35-057 % similar 4-[(3,4-Dichlorobenzyl)oxy]benzaldehyde66742-56-157 % similar 4-[(3-Fluorophenyl)methoxy]benzaldehyde66742-57-257 % similar 4-[(2,4-Dichlorobenzyl)oxy]benzaldehyde70627-17-754 % similar 2-Chloro-6-fluorobenzaldehyde387-45-150 % similar 4-(Benzyloxy)benzaldehyde4397-53-950 % similar

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

Elsewhere

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