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120091-51-2 | Pyrimidine, 2-[4-(dodecyloxy)phenyl]-5-(octyloxy)-
CAS No: 120091-51-2 Catalog No: AG000QAB MDL No:
Product Description
Catalog Number:
AG000QAB
Chemical Name:
Pyrimidine, 2-[4-(dodecyloxy)phenyl]-5-(octyloxy)-
CAS Number:
120091-51-2
Molecular Formula:
C30H48N2O2
Molecular Weight:
468.7143
IUPAC Name:
2-(4-dodecoxyphenyl)-5-octoxypyrimidine
InChI:
InChI=1S/C30H48N2O2/c1-3-5-7-9-11-12-13-14-16-17-23-33-28-21-19-27(20-22-28)30-31-25-29(26-32-30)34-24-18-15-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3
InChI Key:
DCKBKOTWLPKZBD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)c1ncc(cn1)OCCCCCCCC
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.372g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.726g/mol
Monoisotopic Mass:
468.372g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.8
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