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13369-83-0 | 4-Iodo-2-methyl-5-nitro-1H-imidazole
CAS No: 13369-83-0 Catalog No: AG0080AY MDL No:MFCD00210162
Product Description
Catalog Number:
AG0080AY
Chemical Name:
4-Iodo-2-methyl-5-nitro-1H-imidazole
CAS Number:
13369-83-0
Molecular Formula:
C4H4IN3O2
Molecular Weight:
252.9979
MDL Number:
MFCD00210162
IUPAC Name:
4-iodo-2-methyl-5-nitro-1H-imidazole
InChI:
InChI=1S/C4H4IN3O2/c1-2-6-3(5)4(7-2)8(9)10/h1H3,(H,6,7)
InChI Key:
MFMHRKLNVLTIAV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1[nH]c(nc1I)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.935g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.999g/mol
Monoisotopic Mass:
252.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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