| CAS Number | 2137929-76-9 |
| Catalog Number | AG01ELD5 |
| Chemical Name | 3-benzyl-5-bromo-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 3-benzyl-5-bromo-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C14H11BrN2/c15-12-7-13-11(8-16-14(13)17-9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17) |
| InChI Key | FSTYDBJENSMQQE-UHFFFAOYSA-N |
| MDL Number | MFCD31435887 |
| Molecular Formula | C14H11BrN2 |
| Molecular Weight | 287.1545 |
| SMILES | BrC1=CC2=C(NC=C2CC2=CC=CC=C2)N=C1 |
| Synonyms | AKOS034082994,
3-benzyl-5-bromo-1H-pyrrolo[2,3-b]pyridine,
2137929-76-9,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.16g/mol |
| Monoisotopic Mass | 286.011g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number