| CAS Number | 2096334-29-9 |
| Catalog Number | AG01EHJE |
| Chemical Name | 6-Methylquinoline-8-boronic acid, pinacol ester |
| IUPAC Name | 6-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
| InChI | InChI=1S/C16H20BNO2/c1-11-9-12-7-6-8-18-14(12)13(10-11)17-19-15(2,3)16(4,5)20-17/h6-10H,1-5H3 |
| InChI Key | NXQVVZIFHBEJKK-UHFFFAOYSA-N |
| MDL Number | MFCD18311891 |
| Molecular Formula | C16H20BNO2 |
| Molecular Weight | 269.1465 |
| SMILES | CC1=CC2=C(N=CC=C2)C(B2OC(C)(C)C(C)(C)O2)=C1 |
| Synonyms | 6-Methylquinoline-8-boronic acid, pinacol ester,
2096334-29-9,
6-Methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline,
MFCD18311891,
AKOS027342833,
ZINC169936425,
B-9412,
6-Methylquinoline-8-boronic acid pinacol ester,
N/A,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.151g/mol |
| Monoisotopic Mass | 269.159g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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