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81769-52-0 | 1H-Imidazole, 4-(pentafluoroethyl)-
CAS No: 81769-52-0 Catalog No: AG005I2A MDL No:
Product Description
Catalog Number:
AG005I2A
Chemical Name:
1H-Imidazole, 4-(pentafluoroethyl)-
CAS Number:
81769-52-0
Molecular Formula:
C5H3F5N2
Molecular Weight:
186.0827
IUPAC Name:
5-(1,1,2,2,2-pentafluoroethyl)-1H-imidazole
InChI:
InChI=1S/C5H3F5N2/c6-4(7,5(8,9)10)3-1-11-2-12-3/h1-2H,(H,11,12)
InChI Key:
FBQFEOJPKJMEAG-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)F)(c1nc[nH]c1)F
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.085g/mol
Monoisotopic Mass:
186.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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