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119403-54-2 | 1H-Benzimidazole, 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-
CAS No: 119403-54-2 Catalog No: AG000IQC MDL No:MFCD07779576
Product Description
Catalog Number:
AG000IQC
Chemical Name:
1H-Benzimidazole, 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-
CAS Number:
119403-54-2
Molecular Formula:
C13H5F13N2
Molecular Weight:
436.1714
MDL Number:
MFCD07779576
IUPAC Name:
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-benzimidazole
InChI:
InChI=1S/C13H5F13N2/c14-8(15,7-27-5-3-1-2-4-6(5)28-7)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-4H,(H,27,28)
InChI Key:
IHKGKJQHIIWIAQ-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(c1nc2c([nH]1)cccc2)(F)F)F
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.025g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
436.176g/mol
Monoisotopic Mass:
436.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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