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121641-08-5 | Pyrimidine, 5-octyl-2-[4'-(octyloxy)[1,1'-biphenyl]-4-yl]-
CAS No: 121641-08-5 Catalog No: AG0015H9 MDL No:
Product Description
Catalog Number:
AG0015H9
Chemical Name:
Pyrimidine, 5-octyl-2-[4'-(octyloxy)[1,1'-biphenyl]-4-yl]-
CAS Number:
121641-08-5
Molecular Formula:
C32H44N2O
Molecular Weight:
472.7046
IUPAC Name:
2-[4-(4-octoxyphenyl)phenyl]-5-octylpyrimidine
InChI:
InChI=1S/C32H44N2O/c1-3-5-7-9-11-13-15-27-25-33-32(34-26-27)30-18-16-28(17-19-30)29-20-22-31(23-21-29)35-24-14-12-10-8-6-4-2/h16-23,25-26H,3-15,24H2,1-2H3
InChI Key:
RQUMADKLKJPQHG-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1ccc(cc1)c1ncc(cn1)CCCCCCCC
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.345g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
472.717g/mol
Monoisotopic Mass:
472.345g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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