| CAS Number | 2137914-35-1 |
| Catalog Number | AG01EJ04 |
| Chemical Name | 6-bromo-1H-indole-3-sulfonyl chloride |
| IUPAC Name | 6-bromo-1H-indole-3-sulfonyl chloride |
| InChI | InChI=1S/C8H5BrClNO2S/c9-5-1-2-6-7(3-5)11-4-8(6)14(10,12)13/h1-4,11H |
| InChI Key | CTNCVZGFIBIGAR-UHFFFAOYSA-N |
| MDL Number | MFCD31449508 |
| Molecular Formula | C8H5BrClNO2S |
| Molecular Weight | 294.5528 |
| SMILES | ClS(C1C2=C(C=C(C=C2)Br)NC=1)(=O)=O |
| Synonyms | SCHEMBL20339031,
6-bromo-1H-indole-3-sulfonyl chloride,
2137914-35-1,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.891g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.547g/mol |
| Monoisotopic Mass | 292.891g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number