chempirical

2,3-Difluorobenzaldehyde

C7H4F2OCAS 2646-91-5142.10 g/mol

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AldehydeAryl halide

Properties

Molecular formula
C7H4F2O
Molar mass
142.10 g/mol
Exact mass
142.0230 Da
Melting point
64–65 °C
Boiling point
69–73 °C (at 15 Torr)
logP
1.78Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
2646-91-5
SMILES
O=Cc1cccc(F)c1F
InChIKey
WDBAXYQUOZDFOJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F2O/c8-6-3-1-2-5(4-10)7(6)9/h1-4H

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

Names and synonyms

1 names
  • Benzaldehyde, 2,3-difluoro-

Work with 2,3-Difluorobenzaldehyde

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

2,3,4-Trifluorobenzaldehyde161793-17-567 % similar 2-Fluorobenzaldehyde446-52-665 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-062 % similar 3-Chloro-2,4-difluorobenzaldehyde127675-46-158 % similar 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-957 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-056 % similar 2-Fluoro-3-methoxybenzaldehyde103438-88-655 % similar 3-Fluoro-2-methoxybenzaldehyde74266-68-555 % similar

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

Same formula

2,4-Difluorobenzaldehyde1550-35-2 3,5-Difluorobenzaldehyde32085-88-4 3,4-Difluorobenzaldehyde34036-07-2 2,6-Difluorobenzaldehyde437-81-0

Elsewhere

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