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2925-91-9 | 1,4-Diphosphabicyclo[2.2.2]octa-2,5,7-triene, 2,3,5,6,7,8-hexakis(trifluoromethyl)-
CAS No: 2925-91-9 Catalog No: AG002XUE MDL No:
Product Description
Catalog Number:
AG002XUE
Chemical Name:
1,4-Diphosphabicyclo[2.2.2]octa-2,5,7-triene, 2,3,5,6,7,8-hexakis(trifluoromethyl)-
CAS Number:
2925-91-9
Molecular Formula:
C12F18P2
Molecular Weight:
548.0472
IUPAC Name:
2,3,5,6,7,8-hexakis(trifluoromethyl)-1,4-diphosphabicyclo[2.2.2]octa-2,5,7-triene
InChI:
InChI=1S/C12F18P2/c13-7(14,15)1-2(8(16,17)18)32-5(11(25,26)27)3(9(19,20)21)31(1)4(10(22,23)24)6(32)12(28,29)30
InChI Key:
RILHYPRUUSGFHP-UHFFFAOYSA-N
SMILES:
FC(C1=C(P2C(=C(P1C(=C2C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(F)F
NSC Number:
126316
Properties
Complexity:
702
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.919g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.051g/mol
Monoisotopic Mass:
547.919g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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