| CAS Number | 1801906-01-3 |
| Catalog Number | AG01AMAL |
| Chemical Name | 5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride |
| IUPAC Name | 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride |
| InChI | InChI=1S/C7H4BrClN2O2S/c8-4-1-5-6(14(9,12)13)3-11-7(5)10-2-4/h1-3H,(H,10,11) |
| InChI Key | QSHKMZHQTJIDND-UHFFFAOYSA-N |
| MDL Number | MFCD30342654 |
| Molecular Formula | C7H4BrClN2O2S |
| Molecular Weight | 295.5409 |
| SMILES | BrC=1C=C2C(=NC1)NC=C2S(=O)(=O)Cl |
| Synonyms | 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl chloride,
1801906-01-3,
SCHEMBL16914159,
QSHKMZHQTJIDND-UHFFFAOYSA-N,
ZINC306304881,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.88654g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.54g/mol |
| Monoisotopic Mass | 293.88654g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number