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121640-68-4 | Pyrimidine, 2-(4-heptylphenyl)-5-(octyloxy)-
CAS No: 121640-68-4 Catalog No: AG0015HG MDL No:
Product Description
Catalog Number:
AG0015HG
Chemical Name:
Pyrimidine, 2-(4-heptylphenyl)-5-(octyloxy)-
CAS Number:
121640-68-4
Molecular Formula:
C25H38N2O
Molecular Weight:
382.5820
IUPAC Name:
2-(4-heptylphenyl)-5-octoxypyrimidine
InChI:
InChI=1S/C25H38N2O/c1-3-5-7-9-11-13-19-28-24-20-26-25(27-21-24)23-17-15-22(16-18-23)14-12-10-8-6-4-2/h15-18,20-21H,3-14,19H2,1-2H3
InChI Key:
ROUZDYXXSLYRSA-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cnc(nc1)c1ccc(cc1)CCCCCCC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.298g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.592g/mol
Monoisotopic Mass:
382.298g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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