| CAS Number | 1820711-82-7 |
| Catalog Number | AG00I10B(AGN-PC-0WR47F) |
| Chemical Name | tert-Butyl 6-bromo-1H-pyrrolo[3,2-b]pyridine-1-carboxylate |
| IUPAC Name | tert-butyl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate |
| InChI | InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-5-4-9-10(15)6-8(13)7-14-9/h4-7H,1-3H3 |
| InChI Key | YVNVBORCVHGQRV-UHFFFAOYSA-N |
| MDL Number | MFCD27981330 |
| Molecular Formula | C12H13BrN2O2 |
| Molecular Weight | 297.1478 |
| SMILES | O=C(N1C=CC2=NC=C(Br)C=C21)OC(C)(C)C |
| Synonyms | tert-Butyl 6-bromo-1H-pyrrolo[3,2-b]pyridine-1-carboxylate,
1820711-82-7,
SCHEMBL20483115,
ZINC97756670,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.152g/mol |
| Monoisotopic Mass | 296.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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