| CAS Number | 1160370-78-4 |
| Catalog Number | AG00J26A(AGN-PC-0WB5IW) |
| Chemical Name | 2-hydroxy-4-methyl-6-quinolinesulfonyl chloride |
| IUPAC Name | 4-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride |
| InChI | InChI=1S/C10H8ClNO3S/c1-6-4-10(13)12-9-3-2-7(5-8(6)9)16(11,14)15/h2-5H,1H3,(H,12,13) |
| InChI Key | NOEOALFXEBXCOA-UHFFFAOYSA-N |
| MDL Number | MFCD13188580 |
| Molecular Formula | C10H8ClNO3S |
| Molecular Weight | 257.6934 |
| SMILES | O=S(C1=CC=C2N=C(O)C=C(C)C2=C1)(Cl)=O |
| Synonyms | 1160370-78-4,
2-HYDROXY-4-METHYL-6-QUINOLINESULFONYL CHLORIDE,
2-Hydroxy-4-methylquinoline-6-sulfonyl chloride,
SCHEMBL19692902,
DTXSID40672487,
ZX-CM008289,
MFCD13188580,
AKOS022149038,
AKOS022185658,
ZINC100152695,
Y-7366,
4-Methyl-2-oxo-1,2-dihydroquinoline-6-sulfonyl chloride,
4-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride,
|
| Complexity | 438 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.688g/mol |
| Monoisotopic Mass | 256.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number