| CAS Number | 1094300-17-0 |
| Catalog Number | AG01ELP9 |
| Chemical Name | 4-(N'-hydroxycarbamimidoyl)benzamide |
| 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 |
| MDL Number | MFCD11208308 |
| Molecular Formula | C8H9N3O2 |
| Molecular Weight | 179.1760 |
| SMILES | NC(C1=CC=C(C(N)=NO)C=C1)=O |
| Synonyms | SCHEMBL9968924,
4-(-N'-hydroxycarbamimidoyl)benzamide,
1094300-17-0,
1,4-DIAMIDOXIMOBENZENE,
4-[(Z)-N'-hydroxycarbamimidoyl]benzamide,
6051-62-3,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number