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Home > Fluorides > 141550-25-6
141550-25-6 | Pyrimidine, 5-decyl-2-[4-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]-
CAS No: 141550-25-6 Catalog No: AG001GL2 MDL No:
Product Description
Catalog Number:
AG001GL2
Chemical Name:
Pyrimidine, 5-decyl-2-[4-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]-
CAS Number:
141550-25-6
Molecular Formula:
C24H29F7N2O
Molecular Weight:
494.4887
IUPAC Name:
5-decyl-2-[4-(2,2,3,3,4,4,4-heptafluorobutoxy)phenyl]pyrimidine
InChI:
InChI=1S/C24H29F7N2O/c1-2-3-4-5-6-7-8-9-10-18-15-32-21(33-16-18)19-11-13-20(14-12-19)34-17-22(25,26)23(27,28)24(29,30)31/h11-16H,2-10,17H2,1H3
InChI Key:
HXZNHWDEADJBLD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cnc(nc1)c1ccc(cc1)OCC(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.217g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.498g/mol
Monoisotopic Mass:
494.217g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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