| CAS Number | 1351478-05-1 |
| Catalog Number | AG01B5S9 |
| Chemical Name | 1-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-chloroethan-1-one |
| IUPAC Name | 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-chloroethanone |
| InChI | InChI=1S/C9H6BrClN2O/c10-5-1-6-7(8(14)2-11)4-13-9(6)12-3-5/h1,3-4H,2H2,(H,12,13) |
| InChI Key | MNXYXGITZQLUFG-UHFFFAOYSA-N |
| MDL Number | MFCD28662509 |
| Molecular Formula | C9H6BrClN2O |
| Molecular Weight | 273.5137 |
| SMILES | ClCC(C1C2=C(N=CC(=C2)Br)NC=1)=O |
| Synonyms | 1351478-05-1,
1-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-chloroethan-1-one,
SCHEMBL7520159,
MNXYXGITZQLUFG-UHFFFAOYSA-N,
1-(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-chloro-ethanone,
ZINC149550392,
Ethanone, 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-chloro-,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.514g/mol |
| Monoisotopic Mass | 271.935g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number