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Home > Imidazoles > 111380-08-6
111380-08-6 | 1H-Imidazole,1-methyl-5-nitroso-4-phenyl-
CAS No: 111380-08-6 Catalog No: AG007T54 MDL No:
Product Description
Catalog Number:
AG007T54
Chemical Name:
1H-Imidazole,1-methyl-5-nitroso-4-phenyl-
CAS Number:
111380-08-6
Molecular Formula:
C10H9N3O
Molecular Weight:
187.1980
IUPAC Name:
1-methyl-5-nitroso-4-phenylimidazole
InChI:
InChI=1S/C10H9N3O/c1-13-7-11-9(10(13)12-14)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
GFYCENKHMQJSCM-UHFFFAOYSA-N
SMILES:
O=Nc1n(C)cnc1c1ccccc1
UNII:
W4148P494J
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.202g/mol
Monoisotopic Mass:
187.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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