4'-Chloro-5-fluoro-2-hydroxybenzophenone

C₁₃H₈ClFO₂CAS 62433-26-5250.65 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₁₃H₈ClFO₂
Molar mass: 250.65 g/mol
Exact mass: 250.0197 Da
Melting point: 65–66 °C
logP: 3.42Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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

62433-26-5

SMILES

O=C(c1ccc(Cl)cc1)c1cc(F)ccc1O

InChIKey

AYBQWBCUAWOLCT-UHFFFAOYSA-N

InChI

InChI=1S/C13H8ClFO2/c14-9-3-1-8(2-4-9)13(17)11-7-10(15)5-6-12(11)16/h1-7,16H

Weigh it out

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Names and synonyms

7 names

(4-Chlorophenyl)(5-fluoro-2-hydroxyphenyl)methanone
Methanone, (4-chlorophenyl)(5-fluoro-2-hydroxyphenyl)-
SL 79-182
SL 79-182-00
4′-Chloro-5-fluoro-2-hydroxybenzophenone
4-Chloro-2′-hydroxy-5′-fluorobenzophenone
2-(4-Chlorobenzoyl)-4-fluorophenol

Work with 4'-Chloro-5-fluoro-2-hydroxybenzophenone

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

Benzophenone 785-19-863 % similar 5-Fluorosalicylic acid345-16-453 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-151 % similar 2-Chloro-4'-fluorobenzophenone1806-23-150 % similar 2,4'-Dichlorobenzophenone85-29-049 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-349 % similar 4,4′-Dichlorobenzophenone90-98-249 % similar 2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone126581-65-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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