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144806-56-4 | Pyrimidine, 2-[4-(decyloxy)phenyl]-5-nonyl-
CAS No: 144806-56-4 Catalog No: AG001K78 MDL No:
Product Description
Catalog Number:
AG001K78
Chemical Name:
Pyrimidine, 2-[4-(decyloxy)phenyl]-5-nonyl-
CAS Number:
144806-56-4
Molecular Formula:
C29H46N2O
Molecular Weight:
438.6883
IUPAC Name:
2-(4-decoxyphenyl)-5-nonylpyrimidine
InChI:
InChI=1S/C29H46N2O/c1-3-5-7-9-11-13-15-17-23-32-28-21-19-27(20-22-28)29-30-24-26(25-31-29)18-16-14-12-10-8-6-4-2/h19-22,24-25H,3-18,23H2,1-2H3
InChI Key:
NAZHQANDCXEZMC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)c1ncc(cn1)CCCCCCCCC
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.361g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.7g/mol
Monoisotopic Mass:
438.361g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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