1-Chloro-2,3-difluoro-5-nitrobenzene

C₆H₂ClF₂NO₂CAS 53780-44-2193.53 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
logP: 2.53Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

53780-44-2

SMILES

O=[N+]([O-])c1cc(F)c(F)c(Cl)c1

InChIKey

BSKCLLCICPDISV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-chloro-2,3-difluoro-5-nitro-
5-Chloro-3,4-difluoronitrobenzene
3-Chloro-4,5-difluoronitrobenzene

Work with 1-Chloro-2,3-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

1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-1 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-1 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-3

Elsewhere

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