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Home > Fluorides > 130518-65-9
130518-65-9 | Pyridine, 5-(3-fluorononyl)-2-[4-(heptyloxy)phenyl]-
CAS No: 130518-65-9 Catalog No: AG000UJP MDL No:
Product Description
Catalog Number:
AG000UJP
Chemical Name:
Pyridine, 5-(3-fluorononyl)-2-[4-(heptyloxy)phenyl]-
CAS Number:
130518-65-9
Molecular Formula:
C27H40FNO
Molecular Weight:
413.6110
IUPAC Name:
5-(3-fluorononyl)-2-(4-heptoxyphenyl)pyridine
InChI:
InChI=1S/C27H40FNO/c1-3-5-7-9-11-21-30-26-18-15-24(16-19-26)27-20-14-23(22-29-27)13-17-25(28)12-10-8-6-4-2/h14-16,18-20,22,25H,3-13,17,21H2,1-2H3
InChI Key:
ITJKEJPYQNXSFF-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)c1ccc(cn1)CCC(CCCCCC)F
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.309g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
413.621g/mol
Monoisotopic Mass:
413.309g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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