| CAS Number | 1019457-33-0 |
| Catalog Number | AG019Y0I |
| Chemical Name | Ethyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C12H10Cl2O4/c1-2-18-12(17)11(16)6-10(15)8-5-7(13)3-4-9(8)14/h3-5H,2,6H2,1H3 |
| InChI Key | WOGGELNYWFIWOJ-UHFFFAOYSA-N |
| MDL Number | MFCD11523433 |
| Molecular Formula | C12H10Cl2O4 |
| Molecular Weight | 289.1114 |
| SMILES | CCOC(C(CC(C1=C(Cl)C=CC(Cl)=C1)=O)=O)=O |
| Synonyms | ethyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate,
1019457-33-0,
AC1Q31XM,
CTK6F3413,
AKOS000210688,
ZINC100599736,
MCULE-9579680199,
NE20291,
NCGC00329119-01,
EN300-56558,
AB01323242-02,
Z234894579,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.108g/mol |
| Monoisotopic Mass | 287.996g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number