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114415-27-9 | Pyrimidine, 5-(decyloxy)-2-[4-(decyloxy)phenyl]-
CAS No: 114415-27-9 Catalog No: AG000BAK MDL No:
Product Description
Catalog Number:
AG000BAK
Chemical Name:
Pyrimidine, 5-(decyloxy)-2-[4-(decyloxy)phenyl]-
CAS Number:
114415-27-9
Molecular Formula:
C30H48N2O2
Molecular Weight:
468.7143
IUPAC Name:
5-decoxy-2-(4-decoxyphenyl)pyrimidine
InChI:
InChI=1S/C30H48N2O2/c1-3-5-7-9-11-13-15-17-23-33-28-21-19-27(20-22-28)30-31-25-29(26-32-30)34-24-18-16-14-12-10-8-6-4-2/h19-22,25-26H,3-18,23-24H2,1-2H3
InChI Key:
BEOVLVKGEDURRL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)c1ncc(cn1)OCCCCCCCCCC
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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