chempirical

4-(Difluoromethoxy)benzaldehyde

C8H6F2O2CAS 73960-07-3172.13 g/mol

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AldehydeAlkyl halideEther

Properties

Molecular formula
C8H6F2O2
Molar mass
172.13 g/mol
Exact mass
172.0336 Da
Boiling point
87 °C (at 3 Torr)
logP
2.10Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
73960-07-3
SMILES
O=Cc1ccc(OC(F)F)cc1
InChIKey
ZWCXOJYJJINQGU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O2/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-5,8H

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Names and synonyms

3 names
  • Benzaldehyde, 4-(difluoromethoxy)-
  • p-Difluoromethoxybenzaldehyde
  • Difluoromethyl 4-Formylphenyl ether

Work with 4-(Difluoromethoxy)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-Isopropoxybenzaldehyde18962-05-562 % similar 4-(1,1,2,2-Tetrafluoroethoxy)benzaldehyde35295-36-455 % similar (Difluoromethoxy)benzene458-92-452 % similar 4-Fluorobenzaldehyde459-57-452 % similar 4-Anisaldehyde123-11-552 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-952 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-152 % similar 4-(Trifluoromethoxy)benzaldehyde659-28-952 % 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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