(Oc-6-21)-pentafluoro(3-nitrophenyl)sulfur

C₆H₄F₅NO₂SCAS 2613-26-5249.16 g/mol

Open in Covalent MOL file

Halogen Nitro Tertiary Amine

Properties

Molecular formula: C₆H₄F₅NO₂S
Molar mass: 249.16 g/mol
Exact mass: 248.9883 Da
Melting point: 0 °C
Boiling point: 85.5 °C (at 2.6 Torr)
logP: 4.25Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

2613-26-5

SMILES

O=[N+]([O-])c1cccc(S(F)(F)(F)(F)F)c1

InChIKey

FSTNQYCPXJMFMT-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F5NO2S/c7-15(8,9,10,11)6-3-1-2-5(4-6)12(13)14/h1-4H

Weigh it out

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

Names and synonyms

7 names

Sulfur, pentafluoro(3-nitrophenyl)-, (OC-6-21)-
Sulfur, pentafluoro(m-nitrophenyl)-
(m-Nitrophenyl)sulfur pentafluoride
(3-Nitrophenyl)sulfur pentafluoride
3-(Pentafluorosulfanyl)nitrobenzene
1-Nitro-3-(pentafluorosulfanyl)benzene
3-(Pentafluorosulfanyl)-1-nitrobenzene

Work with (Oc-6-21)-pentafluoro(3-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(4-nitrophenyl)sulfur2613-27-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook