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Home > Fluorides > 126432-69-7
126432-69-7 | Pyrimidine, 2-[2-fluoro-4-(octyloxy)phenyl]-5-(4-hexylphenyl)-
CAS No: 126432-69-7 Catalog No: AG000SSM MDL No:
Product Description
Catalog Number:
AG000SSM
Chemical Name:
Pyrimidine, 2-[2-fluoro-4-(octyloxy)phenyl]-5-(4-hexylphenyl)-
CAS Number:
126432-69-7
Molecular Formula:
C30H39FN2O
Molecular Weight:
462.6419
IUPAC Name:
2-(2-fluoro-4-octoxyphenyl)-5-(4-hexylphenyl)pyrimidine
InChI:
InChI=1S/C30H39FN2O/c1-3-5-7-9-10-12-20-34-27-18-19-28(29(31)21-27)30-32-22-26(23-33-30)25-16-14-24(15-17-25)13-11-8-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3
InChI Key:
HYYSDCSAPPDTMC-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)F)c1ncc(cn1)c1ccc(cc1)CCCCCC
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.305g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.653g/mol
Monoisotopic Mass:
462.305g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.9
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