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121640-73-1 | Pyrimidine, 5-(nonyloxy)-2-(4-octylphenyl)-
CAS No: 121640-73-1 Catalog No: AG0015HC MDL No:
Product Description
Catalog Number:
AG0015HC
Chemical Name:
Pyrimidine, 5-(nonyloxy)-2-(4-octylphenyl)-
CAS Number:
121640-73-1
Molecular Formula:
C27H42N2O
Molecular Weight:
410.6352
IUPAC Name:
5-nonoxy-2-(4-octylphenyl)pyrimidine
InChI:
InChI=1S/C27H42N2O/c1-3-5-7-9-11-13-15-21-30-26-22-28-27(29-23-26)25-19-17-24(18-20-25)16-14-12-10-8-6-4-2/h17-20,22-23H,3-16,21H2,1-2H3
InChI Key:
XYVYVOBJKZLQFT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1cnc(nc1)c1ccc(cc1)CCCCCCCC
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.33g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.646g/mol
Monoisotopic Mass:
410.33g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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