Home Other Building Blocks 4-(-N'-hydroxycarbamimidoyl)benzamide

4-(-N'-hydroxycarbamimidoyl)benzamide

CAS No.:
1094300-17-0
Catalog Number:
AG01ELP9
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
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Product Description
Catalog Number:
AG01ELP9
Chemical Name:
4-(-N'-hydroxycarbamimidoyl)benzamide
CAS Number:
1094300-17-0
Molecular Formula:
C8H9N3O2
Molecular Weight:
179.1760
IUPAC Name:
4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
InChI:
InChI=1S/C8H9N3O2/c9-7(11-13)5-1-3-6(4-2-5)8(10)12/h1-4,13H,(H2,9,11)(H2,10,12)
InChI Key:
AZTOWTOBHDLODP-UHFFFAOYSA-N
SMILES:
ON=C(c1ccc(cc1)C(=O)N)N
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
179.069g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
179.179g/mol
Monoisotopic Mass:
179.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties