3-(4-Fluorophenyl)benzaldehyde

C₁₃H₉FOCAS 164334-74-1200.21 g/mol

Open in Covalent MOL file

Aldehyde Aryl 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4'-Chlorobiphenyl-3-carbaldehyde139502-80-066 % similar 3-Fluorobenzaldehyde456-48-466 % similar 4'-Fluorobiphenyl-4-carbaldehyde60992-98-566 % similar 3-(4-Methylphenyl)benzaldehyde116470-54-364 % similar 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-063 % similar 3-(Pyridin-4-yl)benzaldehyde208190-04-961 % similar 4'-Methoxy-[1,1'-biphenyl]-3-carbaldehyde118350-17-758 % 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 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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