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114153-79-6 | 1H-Imidazole-1-ethanol, 5-amino-2-methyl-4-nitro-
CAS No: 114153-79-6 Catalog No: AG000APE MDL No:
Product Description
Catalog Number:
AG000APE
Chemical Name:
1H-Imidazole-1-ethanol, 5-amino-2-methyl-4-nitro-
CAS Number:
114153-79-6
Molecular Formula:
C6H10N4O3
Molecular Weight:
186.1686
IUPAC Name:
2-(5-amino-2-methyl-4-nitroimidazol-1-yl)ethanol
InChI:
InChI=1S/C6H10N4O3/c1-4-8-6(10(12)13)5(7)9(4)2-3-11/h11H,2-3,7H2,1H3
InChI Key:
VIUHVSVCSIUBGL-UHFFFAOYSA-N
SMILES:
OCCn1c(C)nc(c1N)[N+](=O)[O-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.171g/mol
Monoisotopic Mass:
186.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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