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Home > Imidazoles > 14766-63-3
14766-63-3 | 1H-Imidazole-2-ethanol,1-methyl-5-nitro-
CAS No: 14766-63-3 Catalog No: AG006V2D MDL No:
Product Description
Catalog Number:
AG006V2D
Chemical Name:
1H-Imidazole-2-ethanol,1-methyl-5-nitro-
CAS Number:
14766-63-3
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
IUPAC Name:
2-(1-methyl-5-nitroimidazol-2-yl)ethanol
InChI:
InChI=1S/C6H9N3O3/c1-8-5(2-3-10)7-4-6(8)9(11)12/h4,10H,2-3H2,1H3
InChI Key:
WTZSZHBIEVMQTN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C)CCO
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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