| CAS Number | 1181714-73-7 |
| Catalog Number | AG01E7L7 |
| Chemical Name | 3-Methyl-2-oxo-1,2-dihydroquinoline-6-sulfonyl chloride |
| IUPAC Name | 3-methyl-2-oxo-1H-quinoline-6-sulfonyl chloride |
| InChI | InChI=1S/C10H8ClNO3S/c1-6-4-7-5-8(16(11,14)15)2-3-9(7)12-10(6)13/h2-5H,1H3,(H,12,13) |
| InChI Key | PTAXFVRHTAHJDN-UHFFFAOYSA-N |
| MDL Number | MFCD11924009 |
| Molecular Formula | C10H8ClNO3S |
| Molecular Weight | 257.6934 |
| SMILES | CC1C(=O)NC2=C(C=C(S(Cl)(=O)=O)C=C2)C=1 |
| Synonyms | 1181714-73-7,
SCHEMBL14722076,
AKOS016356350,
ZINC104197170,
FT-0718527,
3-methyl-2-oxo-1,2-dihydroquinoline-6-sulfonyl chloride,
6-Quinolinesulfonyl chloride, 1,2-dihydro-3-methyl-2-oxo-,
1,2-dihydro-3-methyl-2-oxo-6-Quinolinesulfonyl 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 | 1.7 |
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Certificate of Analysis
Lot Number