| CAS Number | 1245898-82-1 |
| Catalog Number | AG009IPE(AGN-PC-0H6EMP) |
| Chemical Name | (2-(tert-Butoxy)pyridin-3-yl)boronic acid |
| IUPAC Name | [2-[(2-methylpropan-2-yl)oxy]pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C9H14BNO3/c1-9(2,3)14-8-7(10(12)13)5-4-6-11-8/h4-6,12-13H,1-3H3 |
| InChI Key | HNPJPQRHQRFFOW-UHFFFAOYSA-N |
| MDL Number | MFCD26397235 |
| Molecular Formula | C9H14BNO3 |
| Molecular Weight | 195.0234 |
| SMILES | CC(OC1=NC=CC=C1B(O)O)(C)C |
| Synonyms | (2-(tert-Butoxy)pyridin-3-yl)boronic acid,
1245898-82-1,
AK161199,
[2-(tert-butoxy)pyridin-3-yl]boronic acid,
2-tert-butoxypyridin-3-ylboronic acid,
SCHEMBL896649,
KS-00000SKT,
MFCD26397235,
AKOS024462381,
ZINC169747675,
(2-tert-Butoxy-3-pyridyl)boronic acid,
DS-7254,
FCH2427932,
QC-9300,
(2-tert-Butoxypyridin-3-yl)boronic acid,
OR302218,
AB0097728,
AX8294159,
CS-0028780,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.107g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.025g/mol |
| Monoisotopic Mass | 195.107g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^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