Perfluorooctanesulfonic acid

CAT: 0926-FP71519-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-FP71519-01Size:0.1 g

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CAS Number

1763-23-1

MDL Number

MFCD00042454

Smiles

C (C (C (C (C (F) (F) S (=O) (=O) O) (F) F) (F) F) (F) F) (C (C (C (F) (F) F) (F) F) (F) F) (F) F

Molecular Formula

C8HF17O3S

Molecular Weight

500.13 g/mol

Controlled

Chemical Information

Perfluorooctanesulfonic acid

Perfluorooctane sulfonate (PFOS) can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity according to The Environmental Protection Agency (EPA).

CAS Number	1763-23-1
PubChem CID	74483
IUPAC Name	1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
Molecular Formula	C8HF17O3S
Molecular Weight	500.13
XLogP	5
Topological Polar Surface Area	62.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	7
Heavy Atom Count	29
Formal Charge	0
Complexity	727

SMILES

C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)

InChIKey

YFSUTJLHUFNCNZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1763-23-1

CID: 74483

Formula: C8HF17O3S

MW: 500.13

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	500.13
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	20
Rotatable Bond Count	7
Exact Mass	499.9374938
Monoisotopic Mass	499.9374938
Topological Polar Surface Area	62.8 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	727
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Perfluorooctanesulfonic acid

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