| CAS Number | 1373273-46-1 |
| Catalog Number | AG00HUXD(AGN-PC-0WQWNC) |
| Chemical Name | {1-[(tert-Butoxy)carbonyl]pyrrolo[3,2-b]pyridin-2-yl}boronic acid |
| IUPAC Name | [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[3,2-b]pyridin-2-yl]boronic acid |
| InChI | InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-9-5-4-6-14-8(9)7-10(15)13(17)18/h4-7,17-18H,1-3H3 |
| InChI Key | JYPXTBFIVPSJSL-UHFFFAOYSA-N |
| MDL Number | MFCD30182376 |
| Molecular Formula | C12H15BN2O4 |
| Molecular Weight | 262.0695 |
| SMILES | OB(c1cc2c(n1C(=O)OC(C)(C)C)cccn2)O |
| Synonyms | {1-[(tert-Butoxy)carbonyl]pyrrolo[3,2-b]pyridin-2-yl}boronic acid,
1373273-46-1,
SCHEMBL1743588,
|
| Complexity | 345 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.072g/mol |
| Monoisotopic Mass | 262.112g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 84.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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