| CAS Number | 848052-90-4 |
| Catalog Number | AG00IDFY |
| Chemical Name | methyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C11H8Cl2O4/c1-17-11(16)10(15)5-9(14)7-4-6(12)2-3-8(7)13/h2-4H,5H2,1H3 |
| InChI Key | XBEYUXSMQGGBEG-UHFFFAOYSA-N |
| MDL Number | MFCD07324742 |
| Molecular Formula | C11H8Cl2O4 |
| Molecular Weight | 275.0848 |
| SMILES | COC(C(CC(C1=C(Cl)C=CC(Cl)=C1)=O)=O)=O |
| Synonyms | methyl 4-(2,5-dichlorophenyl)-2,4-dioxobutanoate,
848052-90-4,
AC1NLR1L,
AC1Q41MP,
CTK6I6933,
MFCD07324742,
AKOS009016269,
ZINC100489430,
MCULE-7571559039,
NE35972,
EN300-13907,
Z94601179,
CID4962719,
Methyl 4-(2,5-dichlorophenyl)-2,4-dioxo-butanoate,
|
| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.081g/mol |
| Monoisotopic Mass | 273.98g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number