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121640-67-3 | Pyrimidine, 2-(4-hexylphenyl)-5-(octyloxy)-
CAS No: 121640-67-3 Catalog No: AG0015HH MDL No:
Product Description
Catalog Number:
AG0015HH
Chemical Name:
Pyrimidine, 2-(4-hexylphenyl)-5-(octyloxy)-
CAS Number:
121640-67-3
Molecular Formula:
C24H36N2O
Molecular Weight:
368.5554
IUPAC Name:
2-(4-hexylphenyl)-5-octoxypyrimidine
InChI:
InChI=1S/C24H36N2O/c1-3-5-7-9-10-12-18-27-23-19-25-24(26-20-23)22-16-14-21(15-17-22)13-11-8-6-4-2/h14-17,19-20H,3-13,18H2,1-2H3
InChI Key:
JHVRCWNOXXETEY-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cnc(nc1)c1ccc(cc1)CCCCCC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.283g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.565g/mol
Monoisotopic Mass:
368.283g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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