| CAS Number | 748752-50-3 |
| Catalog Number | AG01B9FB(AGN-PC-0WD88R) |
| Chemical Name | Isoquinoline-8-sulfonyl chloride |
| IUPAC Name | isoquinoline-8-sulfonyl chloride |
| InChI | InChI=1S/C9H6ClNO2S/c10-14(12,13)9-3-1-2-7-4-5-11-6-8(7)9/h1-6H |
| InChI Key | UYZLXCOQEDYFRO-UHFFFAOYSA-N |
| MDL Number | MFCD19200088 |
| Molecular Formula | C9H6ClNO2S |
| Molecular Weight | 227.6674 |
| SMILES | C1=CC2=C(C=NC=C2)C(=C1)S(=O)(=O)Cl |
| Synonyms | isoquinoline-8-sulfonyl chloride,
748752-50-3,
8-Isoquinolinesulfonyl chloride,
isoquinoline-8-sulfonylchloride,
SCHEMBL3129943,
DTXSID70629424,
UYZLXCOQEDYFRO-UHFFFAOYSA-N,
AKOS006335966,
ZINC100395886,
QC-5162,
DA-03710,
L-2212,
524I739,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.662g/mol |
| Monoisotopic Mass | 226.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number