| CAS Number | 1909309-90-5 |
| Catalog Number | AG01C3YS |
| Chemical Name | 7-amino-1,2-dihydroisoquinolin-1-one hydrochloride |
| IUPAC Name | 7-amino-2H-isoquinolin-1-one;hydrochloride |
| InChI | InChI=1S/C9H8N2O.ClH/c10-7-2-1-6-3-4-11-9(12)8(6)5-7;/h1-5H,10H2,(H,11,12);1H |
| InChI Key | PJYNPGMSFQQPTC-UHFFFAOYSA-N |
| MDL Number | MFCD29762938 |
| Molecular Formula | C9H9ClN2O |
| Molecular Weight | 196.6336 |
| SMILES | Cl.NC1=CC2=C(C=CNC2=O)C=C1 |
| Synonyms | 7-amino-1,2-dihydroisoquinolin-1-one hydrochloride,
1909309-90-5,
Z2379087673,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.634g/mol |
| Monoisotopic Mass | 196.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number