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Home > Fluorides > 101153-71-3
101153-71-3 | Ethanol, 2,2,2-trifluoro-, phosphorothioate (3:1) (9CI)
CAS No: 101153-71-3 Catalog No: AG0003V5 MDL No:
Product Description
Catalog Number:
AG0003V5
Chemical Name:
Ethanol, 2,2,2-trifluoro-, phosphorothioate (3:1) (9CI)
CAS Number:
101153-71-3
Molecular Formula:
C6H12F9O6PS
Molecular Weight:
414.1803
IUPAC Name:
2,2,2-trifluoroethanol;trihydroxy(sulfanylidene)-λ5-phosphane
InChI:
InChI=1S/3C2H3F3O.H3O3PS/c3*3-2(4,5)1-6;1-4(2,3)5/h3*6H,1H2;(H3,1,2,3,5)
InChI Key:
XDEULVMDKOAJEZ-UHFFFAOYSA-N
SMILES:
OP(=S)(O)O.OCC(F)(F)F.OCC(F)(F)F.OCC(F)(F)F
Properties
Complexity:
91.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.995g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
414.175g/mol
Monoisotopic Mass:
413.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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