2-Fluoro-4,5-dimethoxybenzaldehyde

C9H9FO3CAS 71924-62-4184.17 g/mol

Open in Covalent MOL file
OOFO
AldehydeAryl halideEther

Properties

Molecular formula
C9H9FO3
Molar mass
184.17 g/mol
Exact mass
184.0536 Da
logP
1.66Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
71924-62-4
SMILES
COC1=C(C=C(C(=C1)C=O)F)OC
InChIKey
IBBYQNVXKFMSSI-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 6-Fluoroveratraldehyde

Work with 2-Fluoro-4,5-dimethoxybenzaldehyde

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

2,5-Difluoro-4-methoxybenzaldehyde879093-08-083 % similar 4,5-Difluoro-2-methoxybenzaldehyde145742-34-373 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-066 % similar 2,5-Dimethoxyterephthalaldehyde7310-97-664 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-364 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-759 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-659 % similar 6-Bromoveratraldehyde5392-10-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Fluorophenoxy)propanoic acid1579-78-8 Methyl 4-fluoro-2-methoxybenzoate204707-42-6 5-Fluoro-2-methoxybenzeneacetic acid383134-85-8 (3-Fluoro-4-methoxyphenyl)acetic acid452-14-2 2-(2-Fluoro-4-methoxyphenyl)acetic acid883531-28-0

Elsewhere

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