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88152-93-6

88152-93-6 | Tricyclo[3.3.1.13,7]decane,1,2,2,3,4,4,6,6,8,8,9,9,- 10,10-tetradecafluoro-5,7-bis(trifluoromethyl)-,mixt. with tridecafluorotris(trifluoromethyl)- bicyclo[3.3.1]nonane

CAS No: 88152-93-6 Catalog No: AG004D2N MDL No:

Product Description

Catalog Number:
AG004D2N
Chemical Name:
Tricyclo[3.3.1.13,7]decane,1,2,2,3,4,4,6,6,8,8,9,9,- 10,10-tetradecafluoro-5,7-bis(trifluoromethyl)-,mixt. with tridecafluorotris(trifluoromethyl)- bicyclo[3.3.1]nonane
CAS Number:
88152-93-6
Molecular Formula:
C33F60
Molecular Weight:
1536.2573
IUPAC Name:
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluoro-9-[2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluoro-1,9,9-tris(trifluoromethyl)cyclononyl]cyclononane;1,2,2,3,4,4,5,6,6,8,8,9,9,10-tetradecafluoro-7,10-bis(trifluoromethyl)adamantane
InChI:
InChI=1S/C21F40.C12F20/c22-3(6(27,28)10(35,36)14(43,44)17(49,50)18(51,52)15(45,46)11(37,38)7(3,29)30)1(19(53,54)55)2(20(56,57)58,21(59,60)61)5(25,26)9(33,34)13(41,42)16(47,48)12(39,40)8(31,32)4(1,23)24;13-2(12(30,31)32)1(11(27,28)29)6(17,18)4(15)8(21,22)3(2,14)9(23,24)5(16,7(1,19)20)10(4,25)26
InChI Key:
QYIUPHNGDAQVLN-UHFFFAOYSA-N
SMILES:
FC(C1(F)C2(F)C(F)(F)C3(C(C1(C(F)(F)F)C(C(C2(F)F)(C3(F)F)F)(F)F)(F)F)F)(F)F.FC1(F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C(C1(F)F)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(C(C(C(C1(C(F)(F)F)C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Properties

Complexity:
2490  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1535.904g/mol
Formal Charge:
0
Heavy Atom Count:
93  
Hydrogen Bond Acceptor Count:
60  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1536.267g/mol
Monoisotopic Mass:
1535.904g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0

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