| CAS Number | 1346549-11-8 |
| Catalog Number | AG00AAJB |
| Chemical Name | 4-chloro-6-(2-methylpropane-2-sulfonyl)quinoline |
| IUPAC Name | 6-tert-butylsulfonyl-4-chloroquinoline |
| InChI | InChI=1S/C13H14ClNO2S/c1-13(2,3)18(16,17)9-4-5-12-10(8-9)11(14)6-7-15-12/h4-8H,1-3H3 |
| InChI Key | DZVYVFIHUDHMRP-UHFFFAOYSA-N |
| MDL Number | MFCD28128433 |
| Molecular Formula | C13H14ClNO2S |
| Molecular Weight | 283.7738 |
| SMILES | CC(C)(C)S(=O)(=O)c1ccc2nccc(Cl)c2c1 |
| Synonyms | 6-(tert-butylsulfonyl)-4-chloroquinoline,
1346549-11-8,
4-Chloro-6-[(1,1-dimethylethyl)sulfonyl]quinoline,
SCHEMBL600081,
DZVYVFIHUDHMRP-UHFFFAOYSA-N,
ZINC114187621,
6-(t-Butylsulfonyl)-4-chloroquinoline,
AS-68153,
DA-36729,
CS-0059736,
FT-0712082,
4-chloro-6-(2-methylpropane-2-sulfonyl)quinoline,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.043378g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.77g/mol |
| Monoisotopic Mass | 283.043378g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number