| CAS Number | 939999-63-0 |
| Catalog Number | AG00GVY5(AGN-PC-0WB5FR) |
| Chemical Name | N'-Hydroxy-1H-benzo[d]imidazole-5-carboximidamide |
| IUPAC Name | N'-hydroxy-3H-benzimidazole-5-carboximidamide |
| InChI | InChI=1S/C8H8N4O/c9-8(12-13)5-1-2-6-7(3-5)11-4-10-6/h1-4,13H,(H2,9,12)(H,10,11) |
| InChI Key | SOHZNRZEBBMFNP-UHFFFAOYSA-N |
| MDL Number | MFCD13188575 |
| Molecular Formula | C8H8N4O |
| Molecular Weight | 176.1753 |
| SMILES | N1=CNC2=CC=C(C=C12)/C(/N)=N/O |
| Synonyms | N'-Hydroxy-1H-benzimidazole-5-carboximidamide,
939999-63-0,
1H-Benzimidazole-6-carboximidamide, N-hydroxy-,
SCHEMBL2394872,
DTXSID20656745,
ZX-CM008250,
MFCD13188575,
AKOS006334153,
FCH1438418,
FCH3724694,
N-Hydroxy-1H-benzimidazole-6-carboximidamide,
N'-Hydroxy-1H-benzimidazole-6-carboximidamide,
Y-7361,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 176.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.179g/mol |
| Monoisotopic Mass | 176.07g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number