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Home > Imidazoles > 111380-10-0
111380-10-0 | 1H-Imidazole,1-methyl-4-nitro-5-phenyl-
CAS No: 111380-10-0 Catalog No: AG0082B8 MDL No:
Product Description
Catalog Number:
AG0082B8
Chemical Name:
1H-Imidazole,1-methyl-4-nitro-5-phenyl-
CAS Number:
111380-10-0
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
1-methyl-4-nitro-5-phenylimidazole
InChI:
InChI=1S/C10H9N3O2/c1-12-7-11-10(13(14)15)9(12)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
OIAINWSBWXEQAN-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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