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Home > Fluorides > 113701-90-9
113701-90-9 | Pyrimidine, 5-decyl-2-[4-[(2-fluorooctyl)oxy]phenyl]-
CAS No: 113701-90-9 Catalog No: AG0009DI MDL No:
Product Description
Catalog Number:
AG0009DI
Chemical Name:
Pyrimidine, 5-decyl-2-[4-[(2-fluorooctyl)oxy]phenyl]-
CAS Number:
113701-90-9
Molecular Formula:
C28H43FN2O
Molecular Weight:
442.6522
IUPAC Name:
5-decyl-2-[4-(2-fluorooctoxy)phenyl]pyrimidine
InChI:
InChI=1S/C28H43FN2O/c1-3-5-7-9-10-11-12-13-15-24-21-30-28(31-22-24)25-17-19-27(20-18-25)32-23-26(29)16-14-8-6-4-2/h17-22,26H,3-16,23H2,1-2H3
InChI Key:
FDXKXVGVGDNNGA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cnc(nc1)c1ccc(cc1)OCC(CCCCCC)F
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.336g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.663g/mol
Monoisotopic Mass:
442.336g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
10.3
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