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Home > Fluorides > 126162-76-3
126162-76-3 | Pyrimidine, 2-[2,3-difluoro-4-(nonyloxy)phenyl]-5-nonyl-
CAS No: 126162-76-3 Catalog No: AG000RWI MDL No:
Product Description
Catalog Number:
AG000RWI
Chemical Name:
Pyrimidine, 2-[2,3-difluoro-4-(nonyloxy)phenyl]-5-nonyl-
CAS Number:
126162-76-3
Molecular Formula:
C28H42F2N2O
Molecular Weight:
460.6427
IUPAC Name:
2-(2,3-difluoro-4-nonoxyphenyl)-5-nonylpyrimidine
InChI:
InChI=1S/C28H42F2N2O/c1-3-5-7-9-11-13-15-17-23-21-31-28(32-22-23)24-18-19-25(27(30)26(24)29)33-20-16-14-12-10-8-6-4-2/h18-19,21-22H,3-17,20H2,1-2H3
InChI Key:
OWBDECISILOCJX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(c(c1F)F)c1ncc(cn1)CCCCCCCCC
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.327g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.654g/mol
Monoisotopic Mass:
460.327g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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