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201936-68-7 | Phenol, 4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-, 1,1',1''-phosphite
CAS No: 201936-68-7 Catalog No: AG0027X2 MDL No:
Product Description
Catalog Number:
AG0027X2
Chemical Name:
Phenol, 4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-, 1,1',1''-phosphite
CAS Number:
201936-68-7
Molecular Formula:
C36H18F39O6P
Molecular Weight:
1318.4360
IUPAC Name:
phosphorous acid;4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenol
InChI:
InChI=1S/3C12H5F13O.H3O3P/c3*13-7(14,5-1-3-6(26)4-2-5)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25;1-4(2)3/h3*1-4,26H;1-3H
InChI Key:
BCVGZBNUUPNVDA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Oc1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.Oc1ccc(cc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.OP(O)O
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1318.022g/mol
Formal Charge:
0
Heavy Atom Count:
82
Hydrogen Bond Acceptor Count:
45
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
1318.445g/mol
Monoisotopic Mass:
1318.022g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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