chempirical

3-Fluorobenzaldehyde

C7H5FOCAS 456-48-4124.11 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
Density
1.7156 g/mL (at 20 °C)
Melting point
150–151 °C
Boiling point
173 °C
logP
1.64Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
456-48-4
SMILES
O=Cc1cccc(F)c1
InChIKey
PIKNVEVCWAAOMJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5FO/c8-7-3-1-2-6(4-7)5-9/h1-5H

Weigh it out

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

Names and synonyms

6 names
  • Benzaldehyde, 3-fluoro-
  • Benzaldehyde, m-fluoro-
  • m-Fluorobenzaldehyde
  • 3-Fluorobenzenecarboxaldehyde
  • NSC 66830
  • 3-Fluorophenylcarboxaldehyde

Work with 3-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

3,5-Difluorobenzaldehyde32085-88-463 % similar 3,4-Difluorobenzaldehyde34036-07-256 % similar 3-Fluorostyrene350-51-656 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-054 % similar 3-Bromobenzaldehyde3132-99-854 % similar 3-Methylbenzaldehyde620-23-554 % similar 3-(Trifluoromethyl)benzaldehyde454-89-753 % similar 4-Chloro-3-fluorobenzaldehyde5527-95-753 % similar

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

Same formula

2-Fluorobenzaldehyde446-52-6 Benzoyl fluoride455-32-3 4-Fluorobenzaldehyde459-57-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook