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116447-85-9 | Pyrimidine, 2-[4-[(4-methyloctyl)oxy]phenyl]-5-undecyl-
CAS No: 116447-85-9 Catalog No: AG000CIJ MDL No:
Product Description
Catalog Number:
AG000CIJ
Chemical Name:
Pyrimidine, 2-[4-[(4-methyloctyl)oxy]phenyl]-5-undecyl-
CAS Number:
116447-85-9
Molecular Formula:
C30H48N2O
Molecular Weight:
452.7149
IUPAC Name:
2-[4-(4-methyloctoxy)phenyl]-5-undecylpyrimidine
InChI:
InChI=1S/C30H48N2O/c1-4-6-8-9-10-11-12-13-14-18-27-24-31-30(32-25-27)28-19-21-29(22-20-28)33-23-15-17-26(3)16-7-5-2/h19-22,24-26H,4-18,23H2,1-3H3
InChI Key:
RAMLIUDIEGETML-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1cnc(nc1)c1ccc(cc1)OCCCC(CCCC)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.377g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.727g/mol
Monoisotopic Mass:
452.377g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.2
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