| CAS Number | 750611-51-9 |
| Catalog Number | AG00G3VH |
| Chemical Name | 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide |
| IUPAC Name | 2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide |
| InChI | InChI=1S/C15H17Cl2NO2/c1-18(14(20)10-16)15(9-5-4-8-13(15)19)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-10H2,1H3 |
| InChI Key | OWNJTNDBCTYHKG-UHFFFAOYSA-N |
| MDL Number | MFCD03656358 |
| Molecular Formula | C15H17Cl2NO2 |
| Molecular Weight | 314.207 |
| SMILES | O=C(N(C1(C2=CC=CC=C2Cl)C(CCCC1)=O)C)CCl |
| Synonyms | 2-Chloro-N-[1-(2-chloro-phenyl)-2-oxo-cyclohexyl]-N-methyl-acetamide,
750611-51-9,
2-chloro-N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylacetamide,
AC1MWLOT,
AC1Q3VSX,
CTK6H4782,
AKOS000117985,
MCULE-2317377244,
NE25731,
EN300-02068,
SR-01000035974,
J-509107,
SR-01000035974-1,
ZINC03270891,
CID3776214,
|
| Complexity | 388 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.206g/mol |
| Monoisotopic Mass | 313.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number