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Home > Fluorides > 143693-29-2
143693-29-2 | Pyrimidine, 4-fluoro-5-heptyl-2-[4-(octyloxy)phenyl]-
CAS No: 143693-29-2 Catalog No: AG001I7A MDL No:
Product Description
Catalog Number:
AG001I7A
Chemical Name:
Pyrimidine, 4-fluoro-5-heptyl-2-[4-(octyloxy)phenyl]-
CAS Number:
143693-29-2
Molecular Formula:
C25H37FN2O
Molecular Weight:
400.5725
IUPAC Name:
4-fluoro-5-heptyl-2-(4-octoxyphenyl)pyrimidine
InChI:
InChI=1S/C25H37FN2O/c1-3-5-7-9-11-13-19-29-23-17-15-21(16-18-23)25-27-20-22(24(26)28-25)14-12-10-8-6-4-2/h15-18,20H,3-14,19H2,1-2H3
InChI Key:
FGYWFVDWTAMIBX-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1ncc(c(n1)F)CCCCCCC
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.289g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.582g/mol
Monoisotopic Mass:
400.289g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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