| CAS Number | 23981-22-8 |
| Catalog Number | AG00BHYS(AGN-PC-0NIC53) |
| Chemical Name | 5-chloro-2-quinolone |
| IUPAC Name | 5-chloro-1H-quinolin-2-one |
| InChI | InChI=1S/C9H6ClNO/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-5H,(H,11,12) |
| InChI Key | DGIQZKXQEUGFPA-UHFFFAOYSA-N |
| MDL Number | MFCD19687158 |
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.6030 |
| SMILES | O=C1C=CC=2C(Cl)=CC=CC2N1 |
| Synonyms | 23981-22-8,
5-chloroquinolin-2(1h)-one,
5-Chloro-2-hydroxyquinoline,
5-chloro-2(1H)-quinolinone,
A1-00344,
5-chloro-2-quinolone,
2(1H)-Quinolinone, 5-chloro-,
5-chloro-2-quinolinone,
SCHEMBL1081802,
DGIQZKXQEUGFPA-UHFFFAOYSA-N,
MFCD16659153,
ZINC115188763,
FCH1411784,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.603g/mol |
| Monoisotopic Mass | 179.014g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number