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Perfluorohexanesulfonamide (~75%)

CAT: 0572-TRC-P999355-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P999355-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41997-13-1
Synonyms
FHxSA; 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonamide; 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexan-1-sulfonamide; AI 3-10702; FHxSA; Perfluorohexanesulfonamide; Perfluorohexylsulfonamide; n-Perfluorohexylsulfonamide; PFHxSA
Hazard Statement
Causes skin irritation
Smiles
NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Formula
C6 H2 F13 N O2 S
Molecular Weight
399.1298
InChI
InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
Additionnal Information
IUPAC name: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Perfluorohexanesulfonamide
CAS Number41997-13-1
PubChem CID11603678
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Molecular FormulaC6H2F13NO2S
Molecular Weight399.13
XLogP3.5
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity556
SMILES
C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)
InChIKey
WDZLGCSJJWEQJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluorohexanesulfonamide
CAS: 41997-13-1
CID: 11603678
Formula: C6H2F13NO2S
MW: 399.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.13
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count16
Rotatable Bond Count5
Exact Mass398.9598656
Monoisotopic Mass398.9598656
Topological Polar Surface Area68.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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