| CAS Number | 1050910-88-7 |
| Catalog Number | AG019MD9 |
| Chemical Name | 6-Chloro-2-oxo-1,2,3,4-tetrahydroquinoline-7-sulfonyl chloride |
| IUPAC Name | 6-chloro-2-oxo-3,4-dihydro-1H-quinoline-7-sulfonyl chloride |
| InChI | InChI=1S/C9H7Cl2NO3S/c10-6-3-5-1-2-9(13)12-7(5)4-8(6)16(11,14)15/h3-4H,1-2H2,(H,12,13) |
| InChI Key | ZQKIWEZDMUNODX-UHFFFAOYSA-N |
| MDL Number | MFCD10686776 |
| Molecular Formula | C9H7Cl2NO3S |
| Molecular Weight | 280.1278 |
| SMILES | ClC1=C(S(Cl)(=O)=O)C=C2C(CCC(N2)=O)=C1 |
| Synonyms | 6-chloro-2-oxo-1,2,3,4-tetrahydroquinoline-7-sulfonyl chloride,
1050910-88-7,
AC1Q3HFG,
CTK7H3577,
AKOS009253154,
ZINC100571798,
MCULE-9350528091,
EN300-35820,
|
| Complexity | 392 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.952g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.119g/mol |
| Monoisotopic Mass | 278.952g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number