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358-63-4 | Ethanol,2,2,2-trifluoro-, phosphate (3:1)
CAS No: 358-63-4 Catalog No: AG007EBQ MDL No:MFCD00233117
Product Description
Catalog Number:
AG007EBQ
Chemical Name:
Ethanol,2,2,2-trifluoro-, phosphate (3:1)
CAS Number:
358-63-4
Molecular Formula:
C6H6F9O4P
Molecular Weight:
344.0688
MDL Number:
MFCD00233117
IUPAC Name:
tris(2,2,2-trifluoroethyl) phosphate
InChI:
InChI=1S/C6H6F9O4P/c7-4(8,9)1-17-20(16,18-2-5(10,11)12)19-3-6(13,14)15/h1-3H2
InChI Key:
ZMQDTYVODWKHNT-UHFFFAOYSA-N
SMILES:
FC(COP(=O)(OCC(F)(F)F)OCC(F)(F)F)(F)F
NSC Number:
191836
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.986g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.069g/mol
Monoisotopic Mass:
343.986g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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