4,5-Difluoro-2-methoxybenzaldehyde

C8H6F2O2CAS 145742-34-3172.13 g/mol

Open in Covalent MOL file
OOFF
AldehydeAryl halideEther

Properties

Molecular formula
C8H6F2O2
Molar mass
172.13 g/mol
Exact mass
172.0336 Da
logP
1.79Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
145742-34-3
SMILES
COC1=CC(=C(C=C1C=O)F)F
InChIKey
ZCLXUHQRYFUSLE-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O2/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-4H,1H3

Weigh it out

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Work with 4,5-Difluoro-2-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

2,5-Difluoro-4-methoxybenzaldehyde879093-08-077 % similar 2-Fluoro-4,5-dimethoxybenzaldehyde71924-62-473 % similar 2,5-Dimethoxyterephthalaldehyde7310-97-670 % similar 2,4,5-Trimethoxybenzaldehyde4460-86-066 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-759 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-359 % similar 5-Fluoro-2-methoxybenzaldehyde19415-51-159 % similar 4-Fluoro-2-methoxybenzaldehyde450-83-959 % 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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