1-Chloro-2,4-difluoro-5-nitrobenzene

C₆H₂ClF₂NO₂CAS 1481-68-1193.53 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂ClF₂NO₂
Molar mass: 193.53 g/mol
Exact mass: 192.9742 Da
Boiling point: 105 °C (at 15 Torr)
logP: 2.53Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

1481-68-1

SMILES

O=[N+]([O-])c1cc(Cl)c(F)cc1F

InChIKey

UIOYEIHBWQTVJC-UHFFFAOYSA-N

InChI

InChI=1S/C6H2ClF2NO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-chloro-2,4-difluoro-5-nitro-
5-Chloro-2,4-difluoronitrobenzene
2,4-Difluoro-5-chloronitrobenzene

Work with 1-Chloro-2,4-difluoro-5-nitrobenzene

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

Same formula

2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-1 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-3 1-Chloro-2,3-difluoro-5-nitrobenzene53780-44-2

Elsewhere

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