chempirical

2-Fluorobenzaldehyde

C7H5FOCAS 446-52-6124.11 g/mol

Open in Covalent MOL file
OF
AldehydeAryl halide

Properties

Molecular formula
C7H5FO
Molar mass
124.11 g/mol
Exact mass
124.0324 Da
Melting point
−44.5 °C
Boiling point
175 °C
logP
1.64Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
446-52-6
SMILES
O=Cc1ccccc1F
InChIKey
ZWDVQMVZZYIAHO-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO/c8-7-4-2-1-3-6(7)5-9/h1-5H

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

Names and synonyms

4 names
  • Benzaldehyde, 2-fluoro-
  • NSC 66829
  • Benzaldehyde, o-fluoro-
  • o-Fluorobenzaldehyde

Work with 2-Fluorobenzaldehyde

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-969 % similar 2,3-Difluorobenzaldehyde2646-91-565 % similar 2,6-Difluorobenzaldehyde437-81-056 % similar 3-Fluoro-2-methoxybenzaldehyde74266-68-555 % similar 1-Ethenyl-2-fluorobenzene394-46-754 % similar 2,4-Difluorobenzaldehyde1550-35-254 % similar 3-Fluoro-4-formylbenzonitrile105942-10-750 % similar 2-Fluoro-5-iodobenzaldehyde146137-76-050 % similar

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

Same formula

Benzoyl fluoride455-32-3 3-Fluorobenzaldehyde456-48-4 4-Fluorobenzaldehyde459-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook