| CAS Number | 1017047-94-7 |
| Catalog Number | AG01A7IQ |
| Chemical Name | 6-(1H-1,3-benzodiazol-1-yl)-N'-hydroxypyridine-3-carboximidamide |
| IUPAC Name | 6-(benzimidazol-1-yl)-N'-hydroxypyridine-3-carboximidamide |
| InChI | InChI=1S/C13H11N5O/c14-13(17-19)9-5-6-12(15-7-9)18-8-16-10-3-1-2-4-11(10)18/h1-8,19H,(H2,14,17) |
| InChI Key | PBYOJHNFHVUBHF-UHFFFAOYSA-N |
| MDL Number | MFCD14705694 |
| Molecular Formula | C13H11N5O |
| Molecular Weight | 253.2593 |
| SMILES | NC(C1=CN=C(N2C3=C(C=CC=C3)N=C2)C=C1)=NO |
| Synonyms | 1017047-94-7,
6-(1H-1,3-benzodiazol-1-yl)-N'-hydroxypyridine-3-carboximidamide,
CTK8A6027,
Z951367634,
|
| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.265g/mol |
| Monoisotopic Mass | 253.096g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 89.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number