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16218-79-4 | 1,1':3',1''-Terphenyl, 2,2',2'',3,3'',4,4',4'',5,5',5'',6,6',6''-tetradecafluoro- (9CI)
CAS No: 16218-79-4 Catalog No: AG001SU9 MDL No:
Product Description
Catalog Number:
AG001SU9
Chemical Name:
1,1':3',1''-Terphenyl, 2,2',2'',3,3'',4,4',4'',5,5',5'',6,6',6''-tetradecafluoro- (9CI)
CAS Number:
16218-79-4
Molecular Formula:
C18F14
Molecular Weight:
482.1702
IUPAC Name:
1,2,3,4,5-pentafluoro-6-[2,3,4,6-tetrafluoro-5-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
InChI:
InChI=1S/C18F14/c19-5-1(3-8(22)13(27)17(31)14(28)9(3)23)6(20)12(26)7(21)2(5)4-10(24)15(29)18(32)16(30)11(4)25
InChI Key:
JINIKWBFAGTLJM-UHFFFAOYSA-N
SMILES:
Fc1c(c(F)c(c(c1c1c(F)c(F)c(c(c1F)F)F)F)F)c1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.978g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.176g/mol
Monoisotopic Mass:
481.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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