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1613-86-1 | Benzenecarboximidamide, N-hydroxy-4-nitro-
CAS No: 1613-86-1 Catalog No: AG001SBW MDL No:MFCD00465738
Product Description
Catalog Number:
AG001SBW
Chemical Name:
Benzenecarboximidamide, N-hydroxy-4-nitro-
CAS Number:
1613-86-1
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
MDL Number:
MFCD00465738
IUPAC Name:
N'-hydroxy-4-nitrobenzenecarboximidamide
InChI:
InChI=1S/C7H7N3O3/c8-7(9-11)5-1-3-6(4-2-5)10(12)13/h1-4,11H,(H2,8,9)
InChI Key:
SRNSBDNIAKCXGI-UHFFFAOYSA-N
SMILES:
ONC(=N)c1ccc(cc1)[N+](=O)[O-]
EC Number:
605-253-6
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Convenient synthesis and biological profile of 5-amino-substituted 1,2,4-oxadiazole derivatives. | European journal of medicinal chemistry 20101201 |
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