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Home > Fluorides > 144797-51-3
144797-51-3 | 1,4-Butanedisulfonic acid, 1,1,2,2,3,3,4,4-octafluoro-, hydrate (1:2)
CAS No: 144797-51-3 Catalog No: AG001K6N MDL No:
Product Description
Catalog Number:
AG001K6N
Chemical Name:
1,4-Butanedisulfonic acid, 1,1,2,2,3,3,4,4-octafluoro-, hydrate (1:2)
CAS Number:
144797-51-3
Molecular Formula:
C4H6F8O8S2
Molecular Weight:
398.2029
IUPAC Name:
1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonic acid;dihydrate
InChI:
InChI=1S/C4H2F8O6S2.2H2O/c5-1(6,3(9,10)19(13,14)15)2(7,8)4(11,12)20(16,17)18;;/h(H,13,14,15)(H,16,17,18);2*1H2
InChI Key:
UGHUCPIIQDDWLG-UHFFFAOYSA-N
SMILES:
FC(C(S(=O)(=O)O)(F)F)(C(C(S(=O)(=O)O)(F)F)(F)F)F.O.O
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.938g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
398.191g/mol
Monoisotopic Mass:
397.938g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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