(2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone

C₁₃H₇ClFIOCAS 915095-86-2360.55 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₇ClFIO
Molar mass: 360.55 g/mol
Exact mass: 359.9214 Da
logP: 4.31Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

915095-86-2

SMILES

O=C(c1ccc(F)cc1)c1cc(I)ccc1Cl

InChIKey

KNYGUQLVFSPVRI-UHFFFAOYSA-N

InChI

InChI=1S/C13H7ClFIO/c14-12-6-5-10(16)7-11(12)13(17)8-1-3-9(15)4-2-8/h1-7H

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Names and synonyms

1 names

Methanone, (2-chloro-5-iodophenyl)(4-fluorophenyl)-

Work with (2-Chloro-5-iodophenyl)(4-fluorophenyl)methanone

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

Elsewhere

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