| CAS Number | 1104637-58-2 |
| Catalog Number | AG003HX7(AGN-PC-0WAGHI) |
| Chemical Name | 6-methyl-2-(pyridin-2-yl)-1,3,6,2-dioxazaborocane-4,8-dione |
| IUPAC Name | 5-methyl-1-pyridin-2-yl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione |
| InChI | InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(13,17-10(15)7-13)8-4-2-3-5-12-8/h2-5H,6-7H2,1H3 |
| InChI Key | JCMMQAGYOWKSFX-UHFFFAOYSA-N |
| MDL Number | MFCD16621460 |
| Molecular Formula | C10H11BN2O4 |
| Molecular Weight | 234.0163 |
| SMILES | CN1CC(=O)OB(C2=NC=CC=C2)OC(=O)C1 |
| Synonyms | 2-Pyridinylboronic acid MIDA ester,
1104637-58-2,
JCMMQAGYOWKSFX-UHFFFAOYSA-N,
AKOS016009109,
ZINC169810268,
SC-50413,
6-methyl-2-(pyridin-2-yl)-1,3,6,2-dioxazaborocane-,
4-methyl-8-(pyridin-2-yl)dihydro-4l4,8l4-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborole-2,6(3H,5H)-dione,
|
| Complexity | 367 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.018g/mol |
| Monoisotopic Mass | 234.081g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number