4-(4-Fluorophenoxy)benzaldehyde

C₁₃H₉FO₂CAS 137736-06-2216.21 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₁₃H₉FO₂
Molar mass: 216.21 g/mol
Exact mass: 216.0587 Da
logP: 3.43Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed88.6% of notifiers
H318 Causes serious eye damage88.6% of notifiers
H319 Causes serious eye irritation11.4% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P305+P354+P338, P317, P330, P337+P317, P501

Identifiers

CAS number

137736-06-2

SMILES

C1=CC(=CC=C1C=O)OC2=CC=C(C=C2)F

InChIKey

YUPBWHURNLRZQL-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FO2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H

Weigh it out

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

Names and synonyms

1 names

4-(4'-Fluorophenoxy)benzaldehyde

Work with 4-(4-Fluorophenoxy)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

4-Fluorobenzaldehyde459-57-475 % similar 4'-Fluorobiphenyl-4-carbaldehyde60992-98-567 % similar 4-Phenoxybenzaldehyde67-36-764 % similar 4-[(4-Fluorophenyl)methoxy]benzaldehyde56442-17-264 % similar 1,1′-Oxybis[4-fluorobenzene]330-93-863 % similar 4-(4-Chlorophenoxy)benzaldehyde61343-99-560 % similar p-(Difluoromethoxy)benzaldehyde73960-07-357 % similar 1-Fluoro-4-phenoxybenzene330-84-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Fluorobiphenyl-3-carboxylic acid103978-23-0 4′-Fluoro[1,1′-biphenyl]-3-carboxylic acid10540-39-3 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-3 4′-Fluoro[1,1′-biphenyl]-2-carboxylic acid1841-57-2 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-3 2-(3-Fluorophenyl)benzoic Acid2094-03-3 4-Fluoro-4'-hydroxybenzophenone25913-05-7 2'-Fluorobiphenyl-4-carboxylic acid365-12-8

Elsewhere

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