| CAS Number | 1061596-54-0 |
| Catalog Number | AG01C83D |
| Chemical Name | 4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl chloride |
| IUPAC Name | 4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonyl chloride |
| InChI | InChI=1S/C11H12ClNO3S/c1-11(2)6-10(14)13-9-4-3-7(5-8(9)11)17(12,15)16/h3-5H,6H2,1-2H3,(H,13,14) |
| InChI Key | GUURRPCXJZJTBL-UHFFFAOYSA-N |
| MDL Number | MFCD11846987 |
| Molecular Formula | C11H12ClNO3S |
| Molecular Weight | 273.7359 |
| SMILES | CC1(C2=C(C=CC(S(Cl)(=O)=O)=C2)NC(=O)C1)C |
| Synonyms | 4,4-DIMETHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLINE-6-SULFONYL CHLORIDE,
1061596-54-0,
AKOS022528987,
ZINC103696973,
SC-31535,
4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinoline-6-s,
|
| Complexity | 427 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.731g/mol |
| Monoisotopic Mass | 273.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 71.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number