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120091-49-8 | Pyrimidine, 2-[4-(hexyloxy)phenyl]-5-(octyloxy)-
CAS No: 120091-49-8 Catalog No: AG000QAC MDL No:
Product Description
Catalog Number:
AG000QAC
Chemical Name:
Pyrimidine, 2-[4-(hexyloxy)phenyl]-5-(octyloxy)-
CAS Number:
120091-49-8
Molecular Formula:
C24H36N2O2
Molecular Weight:
384.5548
IUPAC Name:
2-(4-hexoxyphenyl)-5-octoxypyrimidine
InChI:
InChI=1S/C24H36N2O2/c1-3-5-7-9-10-12-18-28-23-19-25-24(26-20-23)21-13-15-22(16-14-21)27-17-11-8-6-4-2/h13-16,19-20H,3-12,17-18H2,1-2H3
InChI Key:
HOAGGFRICQSSLG-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cnc(nc1)c1ccc(cc1)OCCCCCC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.278g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.564g/mol
Monoisotopic Mass:
384.278g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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