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Home > Fluorides > 141363-31-7
141363-31-7 | 1H-Imidazole, 1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(2-phenylethenyl)-
CAS No: 141363-31-7 Catalog No: AG001GA8 MDL No:
Product Description
Catalog Number:
AG001GA8
Chemical Name:
1H-Imidazole, 1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(2-phenylethenyl)-
CAS Number:
141363-31-7
Molecular Formula:
C16H11F9N2
Molecular Weight:
402.2576
IUPAC Name:
1-methyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-[(E)-2-phenylethenyl]imidazole
InChI:
InChI=1S/C16H11F9N2/c1-27-11(9-26-12(27)8-7-10-5-3-2-4-6-10)13(17,18)14(19,20)15(21,22)16(23,24)25/h2-9H,1H3/b8-7+
InChI Key:
HTJVBNLJYCXUIG-BQYQJAHWSA-N
SMILES:
FC(C(C(C(F)(F)F)(F)F)(F)F)(c1cnc(n1C)C=Cc1ccccc1)F
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
402.078g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.264g/mol
Monoisotopic Mass:
402.078g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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