| CAS Number | 1111638-13-1 |
| Catalog Number | AG00946M(AGN-PC-0WAF9R) |
| Chemical Name | tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate |
| IUPAC Name | tert-butyl 5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate |
| InChI | InChI=1S/C12H15BrN2O2/c1-12(2,3)17-11(16)15-5-4-8-6-9(13)7-14-10(8)15/h6-7H,4-5H2,1-3H3 |
| InChI Key | BLZNAQTULDRLRP-UHFFFAOYSA-N |
| MDL Number | MFCD24448794 |
| Molecular Formula | C12H15BrN2O2 |
| Molecular Weight | 299.1637 |
| SMILES | O=C(N1CCC2=CC(Br)=CN=C21)OC(C)(C)C |
| Synonyms | 1111638-13-1,
tert-butyl 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-1-carboxylate,
tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate,
tert-butyl 5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxylate,
SCHEMBL2964825,
BLZNAQTULDRLRP-UHFFFAOYSA-N,
ZINC95495629,
FCH2896744,
AX8338446,
Z7344,
C12H15BrN2O2,
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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 | 298.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.168g/mol |
| Monoisotopic Mass | 298.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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