chempirical

(Oc-6-21)-pentafluoro(4-nitrophenyl)sulfur

C6H4F5NO2SCAS 2613-27-6249.16 g/mol

Open in Covalent MOL file
ON+O−SFFFFF
HalogenNitroTertiary Amine

Properties

Molecular formula
C6H4F5NO2S
Molar mass
249.16 g/mol
Exact mass
248.9883 Da
Melting point
37–38 °C
Boiling point
89.2 °C (at 3.8 Torr)
logP
4.25Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
2613-27-6
SMILES
O=[N+]([O-])c1ccc(S(F)(F)(F)(F)F)cc1
InChIKey
AGNCKMHGYZKMLN-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-5(2-4-6)12(13)14/h1-4H

Weigh it out

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

Names and synonyms

9 names
  • Sulfur, pentafluoro(4-nitrophenyl)-, (OC-6-21)-
  • (p-Nitrophenyl)sulfur pentafluoride
  • Sulfur, pentafluoro(p-nitrophenyl)-
  • 4-Nitrophenylsulfur pentafluoride
  • 4-Nitrobenzenesulfur pentafluoride
  • Pentafluoro(4-nitrophenyl)sulfur
  • 4-Nitro(pentafluorosulfanyl)benzene
  • 4-(Pentafluorosulfanyl)-1-nitrobenzene
  • 1-Nitro-4-(pentafluorosulfanyl)benzene

Work with (Oc-6-21)-pentafluoro(4-nitrophenyl)sulfur

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

(Oc-6-21)-pentafluoro(3-nitrophenyl)sulfur2613-26-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook