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113844-52-3 | Pyrimidine, 5-[4-[(6-methyloctyl)oxy]phenyl]-2-(octyloxy)-
CAS No: 113844-52-3 Catalog No: AG0009V0 MDL No:
Product Description
Catalog Number:
AG0009V0
Chemical Name:
Pyrimidine, 5-[4-[(6-methyloctyl)oxy]phenyl]-2-(octyloxy)-
CAS Number:
113844-52-3
Molecular Formula:
C27H42N2O2
Molecular Weight:
426.6346
IUPAC Name:
5-[4-(6-methyloctoxy)phenyl]-2-octoxypyrimidine
InChI:
InChI=1S/C27H42N2O2/c1-4-6-7-8-9-12-20-31-27-28-21-25(22-29-27)24-15-17-26(18-16-24)30-19-13-10-11-14-23(3)5-2/h15-18,21-23H,4-14,19-20H2,1-3H3
InChI Key:
BMLUFOSFGXWFMW-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ncc(cn1)c1ccc(cc1)OCCCCCC(CC)C
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.325g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.645g/mol
Monoisotopic Mass:
426.325g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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