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Home > Imidazoles > 85869-05-2
85869-05-2 | Methanone, (1-methyl-5-nitro-1H-imidazol-2-yl)-2-thienyl-
CAS No: 85869-05-2 Catalog No: AG004NIA MDL No:
Product Description
Catalog Number:
AG004NIA
Chemical Name:
Methanone, (1-methyl-5-nitro-1H-imidazol-2-yl)-2-thienyl-
CAS Number:
85869-05-2
Molecular Formula:
C9H7N3O3S
Molecular Weight:
237.2352
IUPAC Name:
(1-methyl-5-nitroimidazol-2-yl)-thiophen-2-ylmethanone
InChI:
InChI=1S/C9H7N3O3S/c1-11-7(12(14)15)5-10-9(11)8(13)6-3-2-4-16-6/h2-5H,1H3
InChI Key:
GLSJDPBJLQGKAN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)C(=O)c1cccs1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.233g/mol
Monoisotopic Mass:
237.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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