| CAS Number | 1087792-19-5 |
| Catalog Number | AG019MQM |
| Chemical Name | 5-[1-(hydroxyimino)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one |
| IUPAC Name | 5-(N-hydroxy-C-methylcarbonimidoyl)-1,3-dihydrobenzimidazol-2-one |
| InChI | InChI=1S/C9H9N3O2/c1-5(12-14)6-2-3-7-8(4-6)11-9(13)10-7/h2-4,14H,1H3,(H2,10,11,13) |
| InChI Key | DVHWMURJSSFXRW-UHFFFAOYSA-N |
| MDL Number | MFCD11099471 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | CC(C1=CC2=C(NC(N2)=O)C=C1)=NO |
| Synonyms | 5-[1-(hydroxyimino)ethyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one,
1087792-19-5,
CTK7F2237,
AKOS033789780,
MCULE-2737942608,
Z218486166,
5-[(1E)-N-hydroxyethanimidoyl]-1,3-dihydro-2H-benzimidazol-2-one,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number