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Home > Imidazoles > 392736-47-9
392736-47-9 | 1H-Imidazole-1-methanol, 2-methyl-5-nitro-
CAS No: 392736-47-9 Catalog No: AG0075C7 MDL No:
Product Description
Catalog Number:
AG0075C7
Chemical Name:
1H-Imidazole-1-methanol, 2-methyl-5-nitro-
CAS Number:
392736-47-9
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
IUPAC Name:
(2-methyl-5-nitroimidazol-1-yl)methanol
InChI:
InChI=1S/C5H7N3O3/c1-4-6-2-5(8(10)11)7(4)3-9/h2,9H,3H2,1H3
InChI Key:
NQZKNNZTIQKFIJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1CO)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.129g/mol
Monoisotopic Mass:
157.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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