3'-Fluoro-[1,1'-biphenyl]-4-carbaldehyde

C₁₃H₉FOCAS 400750-63-2200.21 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

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

400750-63-2

SMILES

C1=CC(=CC(=C1)F)C2=CC=C(C=C2)C=O

InChIKey

GUECWHQTSREAMT-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FO/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11/h1-9H

Weigh it out

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

Names and synonyms

1 names

4-(3-Fluorophenyl)benzaldehyde

Work with 3'-Fluoro-[1,1'-biphenyl]-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

4'-Fluorobiphenyl-4-carbaldehyde60992-98-568 % similar 3'-Chloro-[1,1'-biphenyl]-4-carbaldehyde400744-49-263 % similar 3-Fluorobenzaldehyde456-48-462 % similar [1,1′-Biphenyl]-4-carboxaldehyde3218-36-861 % similar 4-(3-Methylphenyl)benzaldehyde400744-83-461 % similar 3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-460 % similar 3,3'-Difluoro-1,1'-biphenyl396-64-558 % similar [1,1′-Biphenyl]-4,4′-dicarboxaldehyde66-98-858 % 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 2'-Fluorobiphenyl-4-carbaldehyde57592-42-4

Elsewhere

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