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114866-97-6 | 1,1'-Biphenyl, fluoro-4-(4-pentylcyclohexyl)-4'-(4-propylcyclohexyl)- (9CI)
CAS No: 114866-97-6 Catalog No: AG000FD1 MDL No:
Product Description
Catalog Number:
AG000FD1
Chemical Name:
1,1'-Biphenyl, fluoro-4-(4-pentylcyclohexyl)-4'-(4-propylcyclohexyl)- (9CI)
CAS Number:
114866-97-6
Molecular Formula:
C32H45F
Molecular Weight:
448.6981
IUPAC Name:
2-fluoro-1-[4-(4-pentylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene
InChI:
InChI=1S/C32H45F/c1-3-5-6-8-25-11-13-26(14-12-25)27-17-19-29(20-18-27)31-22-21-30(23-32(31)33)28-15-9-24(7-4-2)10-16-28/h17-26,28H,3-16H2,1-2H3
InChI Key:
ZNSSVBKDGHSLQE-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(CC1)c1ccc(c(c1)F)c1ccc(cc1)C1CCC(CC1)CCC
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.351g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.71g/mol
Monoisotopic Mass:
448.351g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.5
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