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Home > Fluorides > 126432-67-5
126432-67-5 | Pyrimidine, 2-[2-fluoro-4-(octyloxy)phenyl]-5-(4-octylphenyl)-
CAS No: 126432-67-5 Catalog No: AG000SSN MDL No:
Product Description
Catalog Number:
AG000SSN
Chemical Name:
Pyrimidine, 2-[2-fluoro-4-(octyloxy)phenyl]-5-(4-octylphenyl)-
CAS Number:
126432-67-5
Molecular Formula:
C32H43FN2O
Molecular Weight:
490.6950
IUPAC Name:
2-(2-fluoro-4-octoxyphenyl)-5-(4-octylphenyl)pyrimidine
InChI:
InChI=1S/C32H43FN2O/c1-3-5-7-9-11-13-15-26-16-18-27(19-17-26)28-24-34-32(35-25-28)30-21-20-29(23-31(30)33)36-22-14-12-10-8-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3
InChI Key:
NSFNJIWGRXWPHL-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)F)c1ncc(cn1)c1ccc(cc1)CCCCCCCC
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.336g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
490.707g/mol
Monoisotopic Mass:
490.336g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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