| CAS Number | 148136-15-6 |
| Catalog Number | AG019UEA(AGN-PC-05TQIS) |
| Chemical Name | 6-(2-Chloroacetyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-2-one |
| IUPAC Name | 6-(2-chloroacetyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one |
| InChI | InChI=1S/C11H9ClFNO2/c12-5-10(15)7-3-6-1-2-11(16)14-9(6)4-8(7)13/h3-4H,1-2,5H2,(H,14,16) |
| InChI Key | PWUBUSLBGCNMOI-UHFFFAOYSA-N |
| MDL Number | MFCD11839842 |
| Molecular Formula | C11H9ClFNO2 |
| Molecular Weight | 241.6461 |
| SMILES | FC1=C(C(CCl)=O)C=C2C(NC(CC2)=O)=C1 |
| Synonyms | 6-(2-chloroacetyl)-7-fluoro-1,2,3,4-tetrahydroquinolin-2-one,
148136-15-6,
AC1Q4KZI,
SCHEMBL9562601,
CTK6H4690,
ZINC32628074,
AKOS008130519,
MCULE-7842398948,
NE46118,
EN300-41392,
Z426041588,
|
| Complexity | 310 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.646g/mol |
| Monoisotopic Mass | 241.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number