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Structure

Phenylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphine

CAS
290827-94-0
Catalog Number
ACM290827940
Category
Other Products
Molecular Weight
954.474g/mol
Molecular Formula
C34H21F26P;

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Specification

Synonyms
SCHEMBL735405; RT-023742; Phenylbis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphine, >=90.0%; Bis[4-(1H,1H,2H,2H-perfluorooctyl)phenyl]phenylphosphine; DTXSID70472972; J-017382; PHENYLBIS[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-TRIDECAFLUOROOCTYL)PHENYL]PHOSPHANE;
IUPAC Name
phenyl-bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphane;
Canonical SMILES
C1=CC=C(C=C1)P(C2=CC=C(C=C2)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C3=CC=C(C=C3)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F;
InChI
InChI=1S/C34H21F26P/c35-23(36,25(39,40)27(43,44)29(47,48)31(51,52)33(55,56)57)16-14-18-6-10-21(11-7-18)61(20-4-2-1-3-5-20)22-12-8-19(9-13-22)15-17-24(37,38)26(41,42)28(45,46)30(49,50)32(53,54)34(58,59)60/h1-13H,14-17H2;
InChI Key
GNCTUKGIBHXUPH-UHFFFAOYSA-N;
Complexity
1330
Covalently-Bonded Unit Count
1
Exact Mass
954.097g/mol
H-Bond Acceptor
26
Heavy Atom Count
61
Monoisotopic Mass
954.097g/mol
Rotatable Bond Count
17
Topological Polar Surface Area
0A^2
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