4-(Difluoromethoxy)-3-methoxybenzaldehyde

C₉H₈F₂O₃CAS 162401-70-9202.16 g/mol

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Aldehyde Alkyl halide Ether

Properties

Molecular formula: C₉H₈F₂O₃
Molar mass: 202.16 g/mol
Exact mass: 202.0442 Da
logP: 2.11Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

162401-70-9

SMILES

COC1=C(C=CC(=C1)C=O)OC(F)F

InChIKey

KGPOVKAYCXTCQS-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3

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Names and synonyms

1 names

4-Difluoromethoxy-3-methoxy-benzaldehyde

Work with 4-(Difluoromethoxy)-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

Veratraldehyde120-14-972 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-564 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-264 % similar 4-Difluoromethoxy-3-hydroxybenzaldehyde151103-08-161 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-259 % similar 3-Cyclopentyloxy-4-methoxybenzaldehyde67387-76-259 % similar 4-[(4-Fluorobenzyl)oxy]-3-methoxybenzenecarbaldehyde321432-05-757 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-657 % similar

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

Same formula

2,6-Difluoro-4-methoxyphenylacetic acid886498-98-2

Elsewhere

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