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121640-97-9 | Pyrimidine, 5-(octyloxy)-2-(4-octylphenyl)-
CAS No: 121640-97-9 Catalog No: AG0015HA MDL No:
Product Description
Catalog Number:
AG0015HA
Chemical Name:
Pyrimidine, 5-(octyloxy)-2-(4-octylphenyl)-
CAS Number:
121640-97-9
Molecular Formula:
C26H40N2O
Molecular Weight:
396.6086
IUPAC Name:
5-octoxy-2-(4-octylphenyl)pyrimidine
InChI:
InChI=1S/C26H40N2O/c1-3-5-7-9-11-13-15-23-16-18-24(19-17-23)26-27-21-25(22-28-26)29-20-14-12-10-8-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3
InChI Key:
GQQFQIIFWLXSCR-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cnc(nc1)c1ccc(cc1)CCCCCCCC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.314g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.619g/mol
Monoisotopic Mass:
396.314g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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