| CAS Number | 847727-25-7 |
| Catalog Number | AG00IDFE(AGN-PC-0OJBB6) |
| Chemical Name | 8-Chloroquinoline-3-sulfonyl chloride |
| IUPAC Name | 8-chloroquinoline-3-sulfonyl chloride |
| InChI | InChI=1S/C9H5Cl2NO2S/c10-8-3-1-2-6-4-7(15(11,13)14)5-12-9(6)8/h1-5H |
| InChI Key | SIJBOKSMXBEKPL-UHFFFAOYSA-N |
| MDL Number | MFCD18254625 |
| Molecular Formula | C9H5Cl2NO2S |
| Molecular Weight | 262.1125 |
| SMILES | ClC1=CC=CC2=C1N=CC(=C2)S(Cl)(=O)=O |
| Synonyms | 8-CHLOROQUINOLINE-3-SULFONYL CHLORIDE,
847727-25-7,
SCHEMBL4701358,
SIJBOKSMXBEKPL-UHFFFAOYSA-N,
MFCD18254625,
ZINC97973143,
8-Chloro-3-quinolinesulfonyl chloride,
3-Quinolinesulfonyl chloride, 8-chloro-,
AS-42593,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.104g/mol |
| Monoisotopic Mass | 260.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number