| CAS Number | 1393823-03-4 |
| Catalog Number | AG009E6E(AGN-PC-0WADLC) |
| Chemical Name | Lithium trihydroxy(isoquinolin-1-yl)borate |
| IUPAC Name | lithium;trihydroxy(isoquinolin-1-yl)boranuide |
| InChI | InChI=1S/C9H9BNO3.Li/c12-10(13,14)9-8-4-2-1-3-7(8)5-6-11-9;/h1-6,12-14H;/q-1;+1 |
| InChI Key | NRGBPCGSPPOYMY-UHFFFAOYSA-N |
| MDL Number | MFCD18070962 |
| Molecular Formula | C9H9BLiNO3 |
| Molecular Weight | 196.9247 |
| SMILES | O[B-](c1nccc2c1cccc2)(O)O.[Li+] |
| Synonyms | Lithium trihydroxy(isoquinolin-1-yl)borate,
1393823-03-4,
SCHEMBL2555105,
AKOS026673217,
Lithium (isoquinolin-1-yl)trihydroxyborate,
C-0630,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.925g/mol |
| Monoisotopic Mass | 197.084g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 73.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number