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Home > Imidazoles > 10045-66-6
10045-66-6 | 1H-Imidazole, 4,5-diiodo-2-phenyl-
CAS No: 10045-66-6 Catalog No: AG000210 MDL No:
Product Description
Catalog Number:
AG000210
Chemical Name:
1H-Imidazole, 4,5-diiodo-2-phenyl-
CAS Number:
10045-66-6
Molecular Formula:
C9H6I2N2
Molecular Weight:
395.9663
IUPAC Name:
4,5-diiodo-2-phenyl-1H-imidazole
InChI:
InChI=1S/C9H6I2N2/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChI Key:
NJEAORDUNICUGM-UHFFFAOYSA-N
SMILES:
Ic1[nH]c(nc1I)c1ccccc1
NSC Number:
9010
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.862g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
395.97g/mol
Monoisotopic Mass:
395.862g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 4,5-Diiodo-2-phenyl-1H-imidazole. | Acta crystallographica. Section E, Structure reports online 20120201 |
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