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Perfluoroheptanesulfonic acid

CAT: 0926-FP71531Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FP71531Size:50 mg
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CAS Number
375-92-8
MDL Number
MFCD28015666
Smiles
C (C (C (C (F) (F) F) (F) F) (F) F) (C (C (C (F) (F) S (=O) (=O) O) (F) F) (F) F) (F) F
Molecular Formula
C7HF15O3S
Molecular Weight
450.12 g/mol
Controlled
No

Chemical Information

Perfluoroheptanesulfonic acid
CAS Number375-92-8
PubChem CID67820
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulfonic acid
Molecular FormulaC7HF15O3S
Molecular Weight450.12
XLogP4.3
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity639
SMILES
C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F
InChI
InChI=1S/C7HF15O3S/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25/h(H,23,24,25)
InChIKey
OYGQVDSRYXATEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perfluoroheptanesulfonic acid
CAS: 375-92-8
CID: 67820
Formula: C7HF15O3S
MW: 450.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight450.12
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count18
Rotatable Bond Count6
Exact Mass449.9406875
Monoisotopic Mass449.9406875
Topological Polar Surface Area62.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity639
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