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117392-57-1 | Pyrimidine, 5-hexyl-2-(4'-hexyl[1,1'-biphenyl]-4-yl)-
CAS No: 117392-57-1 Catalog No: AG000E7O MDL No:
Product Description
Catalog Number:
AG000E7O
Chemical Name:
Pyrimidine, 5-hexyl-2-(4'-hexyl[1,1'-biphenyl]-4-yl)-
CAS Number:
117392-57-1
Molecular Formula:
C28H36N2
Molecular Weight:
400.5988
IUPAC Name:
5-hexyl-2-[4-(4-hexylphenyl)phenyl]pyrimidine
InChI:
InChI=1S/C28H36N2/c1-3-5-7-9-11-23-13-15-25(16-14-23)26-17-19-27(20-18-26)28-29-21-24(22-30-28)12-10-8-6-4-2/h13-22H,3-12H2,1-2H3
InChI Key:
KLRJFUYRVNCXIN-UHFFFAOYSA-N
SMILES:
CCCCCCc1ccc(cc1)c1ccc(cc1)c1ncc(cn1)CCCCCC
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.288g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.61g/mol
Monoisotopic Mass:
400.288g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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