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121640-72-0 | Pyrimidine, 2-(4-heptylphenyl)-5-(nonyloxy)-
CAS No: 121640-72-0 Catalog No: AG0015HD MDL No:
Product Description
Catalog Number:
AG0015HD
Chemical Name:
Pyrimidine, 2-(4-heptylphenyl)-5-(nonyloxy)-
CAS Number:
121640-72-0
Molecular Formula:
C26H40N2O
Molecular Weight:
396.6086
IUPAC Name:
2-(4-heptylphenyl)-5-nonoxypyrimidine
InChI:
InChI=1S/C26H40N2O/c1-3-5-7-9-10-12-14-20-29-25-21-27-26(28-22-25)24-18-16-23(17-19-24)15-13-11-8-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3
InChI Key:
CURZUZONNWVXNX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1cnc(nc1)c1ccc(cc1)CCCCCCC
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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