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444018-07-9 | 1H-Imidazole-1-propanimidamide, N-hydroxy-2-nitro-
CAS No: 444018-07-9 Catalog No: AG0071XO MDL No:
Product Description
Catalog Number:
AG0071XO
Chemical Name:
1H-Imidazole-1-propanimidamide, N-hydroxy-2-nitro-
CAS Number:
444018-07-9
Molecular Formula:
C6H9N5O3
Molecular Weight:
199.1674
IUPAC Name:
N'-hydroxy-3-(2-nitroimidazol-1-yl)propanimidamide
InChI:
InChI=1S/C6H9N5O3/c7-5(9-12)1-3-10-4-2-8-6(10)11(13)14/h2,4,12H,1,3H2,(H2,7,9)
InChI Key:
QPKXGKCFFNBTGA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccn1CCC(=N)NO
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.17g/mol
Monoisotopic Mass:
199.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.7
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