| CAS Number | 946692-43-9 |
| Catalog Number | AG006T7O(AGN-PC-0WB3YN) |
| Chemical Name | 8-Chloro-2-(chloromethyl)quinolin-4(1H)-one |
| IUPAC Name | 8-chloro-2-(chloromethyl)-1H-quinolin-4-one |
| InChI | InChI=1S/C10H7Cl2NO/c11-5-6-4-9(14)7-2-1-3-8(12)10(7)13-6/h1-4H,5H2,(H,13,14) |
| InChI Key | UUWGPBTYHBXUDX-UHFFFAOYSA-N |
| MDL Number | MFCD11053915 |
| Molecular Formula | C10H7Cl2NO |
| Molecular Weight | 228.0747 |
| SMILES | C12=C(C=CC=C1C(C=C(CCl)N2)=O)Cl |
| Synonyms | 8-CHLORO-2-(CHLOROMETHYL)-4(1H)-QUINOLINONE,
946692-43-9,
8-Chloro-2-(chloromethyl)quinolin-4(1H)-one,
CTK5H6952,
DTXSID80589828,
ZINC8732760,
ZX-CM006039,
FCH933345,
MFCD11053915,
AKOS006339175,
AJ-59166,
Y-6514,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.072g/mol |
| Monoisotopic Mass | 226.99g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number