2,5-Difluoro-4-methoxybenzaldehyde

C8H6F2O2CAS 879093-08-0172.13 g/mol

Open in Covalent MOL file
OFOF
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 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
879093-08-0
SMILES
COc1cc(F)c(C=O)cc1F
InChIKey
DCGKDDVUUMOTDH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Benzaldehyde, 2,5-difluoro-4-methoxy-

Work with 2,5-Difluoro-4-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-Fluoro-4,5-dimethoxybenzaldehyde71924-62-483 % similar 4,5-Difluoro-2-methoxybenzaldehyde145742-34-377 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-563 % similar 2,4,5-Trifluorobenzaldehyde165047-24-559 % similar 2-Fluoro-5-methoxybenzaldehyde105728-90-357 % similar 4-Fluoro-3-methoxybenzaldehyde128495-46-557 % similar 2-Fluoro-4-methoxybenzaldehyde331-64-657 % similar 3-Fluoro-4-methoxybenzaldehyde351-54-257 % 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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