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189077-31-4 | Benzoic acid, 4-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]-
CAS No: 189077-31-4 Catalog No: AG002HTZ MDL No:
Product Description
Catalog Number:
AG002HTZ
Chemical Name:
Benzoic acid, 4-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]-
CAS Number:
189077-31-4
Molecular Formula:
C31H17F39O2Si
Molecular Weight:
1190.4887
IUPAC Name:
4-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]benzoic acid
InChI:
InChI=1S/C31H17F39O2Si/c32-14(33,17(38,39)20(44,45)23(50,51)26(56,57)29(62,63)64)5-8-73(12-3-1-11(2-4-12)13(71)72,9-6-15(34,35)18(40,41)21(46,47)24(52,53)27(58,59)30(65,66)67)10-7-16(36,37)19(42,43)22(48,49)25(54,55)28(60,61)31(68,69)70/h1-4H,5-10H2,(H,71,72)
InChI Key:
PKQJEQIYTPDFJK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
1730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1190.038g/mol
Formal Charge:
0
Heavy Atom Count:
73
Hydrogen Bond Acceptor Count:
41
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
1190.498g/mol
Monoisotopic Mass:
1190.038g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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