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Home > Imidazoles > 120398-89-2
120398-89-2 | 1,3-Propanediol,2-[(2-nitro-1H-imidazol-1-yl)methoxy]-
CAS No: 120398-89-2 Catalog No: AG00763D MDL No:
Product Description
Catalog Number:
AG00763D
Chemical Name:
1,3-Propanediol,2-[(2-nitro-1H-imidazol-1-yl)methoxy]-
CAS Number:
120398-89-2
Molecular Formula:
C7H11N3O5
Molecular Weight:
217.1793
IUPAC Name:
2-[(2-nitroimidazol-1-yl)methoxy]propane-1,3-diol
InChI:
InChI=1S/C7H11N3O5/c11-3-6(4-12)15-5-9-2-1-8-7(9)10(13)14/h1-2,6,11-12H,3-5H2
InChI Key:
DWSFCAKOSWFTCK-UHFFFAOYSA-N
SMILES:
OCC(OCn1ccnc1[N+](=O)[O-])CO
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.181g/mol
Monoisotopic Mass:
217.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Imaging of ischemic but viable myocardium using a new 18F-labeled 2-nitroimidazole analog, 18F-FRP170. | Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20020101 |
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