chempirical

2'-Fluorobiphenyl-4-carbaldehyde

C13H9FOCAS 57592-42-4200.21 g/mol

Open in Covalent MOL file
OF
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
57592-42-4
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C=O)F
InChIKey
XUAVPKGLNUEBHK-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO/c14-13-4-2-1-3-12(13)11-7-5-10(9-15)6-8-11/h1-9H

Weigh it out

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Work with 2'-Fluorobiphenyl-4-carbaldehyde

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

3-(2-Fluorophenyl)benzaldehyde676348-33-767 % similar 2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-058 % similar 2'-Trifluoromethyl-biphenyl-4-carbaldehyde198205-95-757 % similar 2-Fluorobiphenyl321-60-857 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-855 % similar 4-[2,4,5-Tris(4-formylphenyl)phenyl]benzaldehyde883835-33-455 % similar 5-(2-Fluorophenyl)-1H-pyrrole-3-carboxaldehyde881674-56-254 % similar 4-(2-Methoxyphenyl)benzaldehyde421553-62-053 % similar

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

Same formula

3-(4-Fluorophenyl)benzaldehyde164334-74-1 2-(4-Fluorophenyl)benzaldehyde192863-46-0 2′-Fluoro[1,1′-biphenyl]-2-carboxaldehyde223575-95-9 2-Fluorobenzophenone342-24-5 3-Fluorobenzophenone345-69-7 4-Fluorobenzophenone345-83-5 3-(3-Fluorophenyl)benzaldehyde400750-09-6 3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-2

Elsewhere

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