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5006-68-8 | 2-(5-Nitro-1H-imidazol-1-yl)ethanol
CAS No: 5006-68-8 Catalog No: AG003MWQ MDL No:
Product Description
Catalog Number:
AG003MWQ
Chemical Name:
2-(5-Nitro-1H-imidazol-1-yl)ethanol
CAS Number:
5006-68-8
Molecular Formula:
C5H7N3O3
Molecular Weight:
157.1274
IUPAC Name:
2-(5-nitroimidazol-1-yl)ethanol
InChI:
InChI=1S/C5H7N3O3/c9-2-1-7-4-6-3-5(7)8(10)11/h3-4,9H,1-2H2
InChI Key:
DFMZECOLZRIPOT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cncn1CCO
UNII:
M69F775144
Properties
Complexity:
146
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:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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