| CAS Number | 946755-57-3 |
| Catalog Number | AG006T7I(AGN-PC-0WB3ZC) |
| Chemical Name | 2-(Chloromethyl)-4-oxo-1,4-dihydro-6-quinolinecarboxamide |
| IUPAC Name | 2-(chloromethyl)-4-oxo-1H-quinoline-6-carboxamide |
| InChI | InChI=1S/C11H9ClN2O2/c12-5-7-4-10(15)8-3-6(11(13)16)1-2-9(8)14-7/h1-4H,5H2,(H2,13,16)(H,14,15) |
| InChI Key | WOPQBASOFVWSAO-UHFFFAOYSA-N |
| MDL Number | MFCD11053945 |
| Molecular Formula | C11H9ClN2O2 |
| Molecular Weight | 236.6544 |
| SMILES | C12=CC(=CC=C1NC(=CC2=O)CCl)C(N)=O |
| Synonyms | 946755-57-3,
2-(CHLOROMETHYL)-4-OXO-1,4-DIHYDRO-6-QUINOLINECARBOXAMIDE,
2-(Chloromethyl)-4-oxo-1,4-dihydroquinoline-6-carboxamide,
CTK5H6969,
DTXSID70589832,
ZINC8703733,
ZX-CM006446,
MFCD11053945,
AKOS022185270,
AJ-58695,
Y-6542,
2-(chloromethyl)-4-oxo-1H-quinoline-6-carboxamide,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.655g/mol |
| Monoisotopic Mass | 236.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number