| CAS Number | 903513-59-7 |
| Catalog Number | AG00GX46 |
| Chemical Name | 2-(tert-Butoxycarbonylamino)pyridin-4-ylboronic acid |
| IUPAC Name | [2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-4-yl]boronic acid |
| InChI | InChI=1S/C10H15BN2O4/c1-10(2,3)17-9(14)13-8-6-7(11(15)16)4-5-12-8/h4-6,15-16H,1-3H3,(H,12,13,14) |
| InChI Key | BKNAQFHVFPMSFW-UHFFFAOYSA-N |
| MDL Number | MFCD13188969 |
| Molecular Formula | C10H15BN2O4 |
| Molecular Weight | 238.0481 |
| SMILES | B(C1=CC(=NC=C1)NC(=O)OC(C)(C)C)(O)O |
| Synonyms | 903513-59-7,
2-(TERT-BUTOXYCARBONYLAMINO)PYRIDIN-4-YLBORONIC ACID,
2-(T-BUTOXYCARBONYLAMINO)-PYRIDINE-4-BORONIC ACID,
MFCD13188969,
ZINC198023830,
AB67476,
C-0382,
2-(TERTBUTOXYCARBONYLAMINO)PYRIDIN-4-YLBORONIC ACID,
2-(t-Butoxycarbonylamino)-pyridine-4-boronic acid, pinacol ester,
2-(T-BUTOXYCARBONYLAMINO)-PYRIDINE-4-BORONIC ACID PINACOL ESTER,
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| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.05g/mol |
| Monoisotopic Mass | 238.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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