| CAS Number | 1425334-89-9 |
| Catalog Number | AG00HWIF(AGN-PC-0WCRRQ) |
| Chemical Name | 1-(tert-butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid |
| IUPAC Name | [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C12H15BN2O4/c1-12(2,3)19-11(16)15-7-9(13(17)18)8-5-4-6-14-10(8)15/h4-7,17-18H,1-3H3 |
| InChI Key | UFYPGJMHBDEHNT-UHFFFAOYSA-N |
| MDL Number | MFCD20922506 |
| Molecular Formula | C12H15BN2O4 |
| Molecular Weight | 262.0695 |
| SMILES | C(C)(C)(C)OC(=O)N1C=C(C=2C1=NC=CC2)B(O)O |
| Synonyms | 1425334-89-9,
1-(tert-butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid,
{1-[(tert-butoxy)carbonyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}boronic acid,
(1-(tert-Butoxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid,
KS-000005EK,
MFCD20922506,
AKOS015892959,
ZINC198855838,
AS-52921,
CS-0052966,
I04-1690,
(1-Boc-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid,
{1-[(t-Butoxy)carbonyl]-1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid,
{1-[(tert-butoxy)carbonyl]-1h-pyrrolo[2,3-b]pyridin-3-ylboronic acid,
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| 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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