| CAS Number | 1048030-52-9 |
| Catalog Number | AG00947S(AGN-PC-0WADL5) |
| Chemical Name | Lithium (5-cyanopyridin-2-yl)triisopropoxyborate |
| IUPAC Name | lithium;(5-cyanopyridin-2-yl)-tri(propan-2-yloxy)boranuide |
| InChI | InChI=1S/C15H24BN2O3.Li/c1-11(2)19-16(20-12(3)4,21-13(5)6)15-8-7-14(9-17)10-18-15;/h7-8,10-13H,1-6H3;/q-1;+1 |
| InChI Key | LDYRNEDPIZYLJR-UHFFFAOYSA-N |
| MDL Number | MFCD19237197 |
| Molecular Formula | C15H24BLiN2O3 |
| Molecular Weight | 298.1147 |
| SMILES | N#Cc1ccc(nc1)[B-](OC(C)C)(OC(C)C)OC(C)C.[Li+] |
| Synonyms | Lithium (5-cyanopyridin-2-yl)triisopropoxyborate,
1048030-52-9,
C15H24BN2O3.Li,
MFCD19237197,
AKOS025293887,
AK172627,
Z6761,
A-2948,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.118g/mol |
| Monoisotopic Mass | 298.204g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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