3-(3-Fluorophenyl)benzaldehyde

C13H9FOCAS 400750-09-6200.21 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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
400750-09-6
SMILES
C1=CC(=CC(=C1)C2=CC(=CC=C2)F)C=O
InChIKey
JKHXPCVGTFXSES-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO/c14-13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-15/h1-9H

Weigh it out

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

Names and synonyms

1 names
  • 3'-Fluorobiphenyl-3-carbaldehyde

Work with 3-(3-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

3-Fluorobenzaldehyde456-48-477 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-068 % similar 3,3'-Difluoro-1,1'-biphenyl396-64-560 % similar 4'-Chlorobiphenyl-3-carbaldehyde139502-80-059 % similar 3-(Pyridin-4-yl)benzaldehyde208190-04-959 % similar 3-(3-Methylphenyl)benzaldehyde216443-78-659 % similar 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-559 % similar 3-(2-Fluorophenyl)benzaldehyde676348-33-759 % 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'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde400750-63-2 2'-Fluorobiphenyl-4-carbaldehyde57592-42-4

Elsewhere

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