| CAS Number | 1445856-13-2 |
| Catalog Number | AG00HX3C(AGN-PC-0WG45X) |
| Chemical Name | tert-Butyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate |
| IUPAC Name | tert-butyl 5-bromopyrrolo[2,3-c]pyridine-1-carboxylate |
| InChI | InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-5-4-8-6-10(13)14-7-9(8)15/h4-7H,1-3H3 |
| InChI Key | FNHHCNWSEUASDD-UHFFFAOYSA-N |
| MDL Number | MFCD29059396 |
| Molecular Formula | C12H13BrN2O2 |
| Molecular Weight | 297.1478 |
| SMILES | O=C(N1C=CC2=C1C=NC(Br)=C2)OC(C)(C)C |
| Synonyms | 1445856-13-2,
tert-Butyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate,
SCHEMBL15091426,
MFCD29059396,
AKOS027255922,
ZINC221677757,
t-Butyl 5-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate,
TERT-BUTYL 5-BROMOPYRROLO[2,3-C]PYRIDINE-1-CARBOXYLATE,
5-Bromo-pyrrolo[2,3-c]pyridine-1-carboxylic acid tert-butyl ester,
|
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number