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Home > Fluorides > 124257-09-6
124257-09-6 | Pyrimidine, 2-[2-fluoro-4-(octyloxy)phenyl]-5-(4-heptylphenyl)-
CAS No: 124257-09-6 Catalog No: AG000LRS MDL No:
Product Description
Catalog Number:
AG000LRS
Chemical Name:
Pyrimidine, 2-[2-fluoro-4-(octyloxy)phenyl]-5-(4-heptylphenyl)-
CAS Number:
124257-09-6
Molecular Formula:
C31H41FN2O
Molecular Weight:
476.6684
IUPAC Name:
2-(2-fluoro-4-octoxyphenyl)-5-(4-heptylphenyl)pyrimidine
InChI:
InChI=1S/C31H41FN2O/c1-3-5-7-9-11-13-21-35-28-19-20-29(30(32)22-28)31-33-23-27(24-34-31)26-17-15-25(16-18-26)14-12-10-8-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3
InChI Key:
MMLQYXBABHKOJK-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)F)c1ncc(cn1)c1ccc(cc1)CCCCCCC
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.32g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.68g/mol
Monoisotopic Mass:
476.32g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.5
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