chempirical

3-(4-Fluorophenyl)benzaldehyde

C13H9FOCAS 164334-74-1200.21 g/mol

Open in Covalent MOL file
FO
AldehydeAryl halide

Properties

Molecular formula
C13H9FO
Molar mass
200.21 g/mol
Exact mass
200.0637 Da
logP
3.31Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
164334-74-1
SMILES
C1=CC(=CC(=C1)C2=CC=C(C=C2)F)C=O
InChIKey
IVYDCJYMOBKHTK-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO/c14-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H

Weigh it out

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

Work with 3-(4-Fluorophenyl)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

[1,1′-Biphenyl]-3-carboxaldehyde1204-60-069 % similar 3-Fluorobenzaldehyde456-48-466 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-758 % similar 3′,4′-Dimethyl[1,1′-biphenyl]-3-carboxaldehyde343604-07-957 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-556 % similar 4-Fluorobenzaldehyde459-57-455 % similar 3-(3-Pyridyl)benzaldehyde131231-24-853 % similar 3′,4′-Dimethoxy[1,1′-biphenyl]-3-carboxaldehyde676348-36-053 % similar

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

Same formula

2-(4-Fluorophenyl)benzaldehyde192863-46-0 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-9 2-Fluorobenzophenone342-24-5 4-Fluorobenzophenone345-83-5

Elsewhere

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