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117433-12-2 | Pyrimidine, 2-(4'-heptyl[1,1'-biphenyl]-4-yl)-5-octyl-
CAS No: 117433-12-2 Catalog No: AG000EB9 MDL No:
Product Description
Catalog Number:
AG000EB9
Chemical Name:
Pyrimidine, 2-(4'-heptyl[1,1'-biphenyl]-4-yl)-5-octyl-
CAS Number:
117433-12-2
Molecular Formula:
C31H42N2
Molecular Weight:
442.6786
IUPAC Name:
2-[4-(4-heptylphenyl)phenyl]-5-octylpyrimidine
InChI:
InChI=1S/C31H42N2/c1-3-5-7-9-11-13-15-27-24-32-31(33-25-27)30-22-20-29(21-23-30)28-18-16-26(17-19-28)14-12-10-8-6-4-2/h16-25H,3-15H2,1-2H3
InChI Key:
IILUFQNMHLMGAB-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cnc(nc1)c1ccc(cc1)c1ccc(cc1)CCCCCCC
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.335g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.691g/mol
Monoisotopic Mass:
442.335g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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