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Home > Imidazoles > 16781-78-5
16781-78-5 | 1H-Imidazole, 2-iodo-4-nitro-1-(2-oxiranylmethyl)-
CAS No: 16781-78-5 Catalog No: AG001XLZ MDL No:
Product Description
Catalog Number:
AG001XLZ
Chemical Name:
1H-Imidazole, 2-iodo-4-nitro-1-(2-oxiranylmethyl)-
CAS Number:
16781-78-5
Molecular Formula:
C6H6IN3O3
Molecular Weight:
295.0346
IUPAC Name:
2-iodo-4-nitro-1-(oxiran-2-ylmethyl)imidazole
InChI:
InChI=1S/C6H6IN3O3/c7-6-8-5(10(11)12)2-9(6)1-4-3-13-4/h2,4H,1,3H2
InChI Key:
XLQZRRHJSQFHQZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(n1)I)CC1CO1
NSC Number:
95084
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.945g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.036g/mol
Monoisotopic Mass:
294.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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