2-(4-Fluorophenyl)benzaldehyde

C13H9FOCAS 192863-46-0200.21 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

Warning
Irritant (GHS07)

Aggregated from 5 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
192863-46-0
SMILES
C1=CC=C(C(=C1)C=O)C2=CC=C(C=C2)F
InChIKey
QENDTDXVOJYDLG-UHFFFAOYSA-N
InChI
InChI=1S/C13H9FO/c14-12-7-5-10(6-8-12)13-4-2-1-3-11(13)9-15/h1-9H

Weigh it out

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

Work with 2-(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]-2-carboxaldehyde1203-68-568 % similar 2-[4-(Trifluoromethyl)phenyl]benzaldehyde84392-23-462 % similar 2-(4-Pyridinyl)benzaldehyde176526-00-459 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-559 % similar 2-(4-Fluorophenyl)nicotinaldehyde885950-17-457 % similar 2-(Pyrimidin-5-yl)benzaldehyde640769-71-753 % similar 4'-Fluorobiphenyl-4-carbaldehyde60992-98-552 % similar 2-Fluorobenzaldehyde446-52-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(4-Fluorophenyl)benzaldehyde164334-74-1 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 2'-Fluorobiphenyl-4-carbaldehyde57592-42-4

Elsewhere

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