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Home > Imidazoles > 113466-65-2
113466-65-2 | 1H-Imidazole-4-acetonitrile, 2,5-diiodo-
CAS No: 113466-65-2 Catalog No: AG0008P5 MDL No:
Product Description
Catalog Number:
AG0008P5
Chemical Name:
1H-Imidazole-4-acetonitrile, 2,5-diiodo-
CAS Number:
113466-65-2
Molecular Formula:
C5H3I2N3
Molecular Weight:
358.9064
IUPAC Name:
2-(2,4-diiodo-1H-imidazol-5-yl)acetonitrile
InChI:
InChI=1S/C5H3I2N3/c6-4-3(1-2-8)9-5(7)10-4/h1H2,(H,9,10)
InChI Key:
QJLAJBQIXCPBNE-UHFFFAOYSA-N
SMILES:
Ic1c(CC#N)nc([nH]1)I
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.842g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.909g/mol
Monoisotopic Mass:
358.842g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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