| CAS Number | 1037130-74-7 |
| Catalog Number | AG019UC7 |
| Chemical Name | methyl 4-(2,6-difluorophenyl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(2,6-difluorophenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C11H8F2O4/c1-17-11(16)9(15)5-8(14)10-6(12)3-2-4-7(10)13/h2-4H,5H2,1H3 |
| InChI Key | SINDSIHKSFOEOX-UHFFFAOYSA-N |
| MDL Number | MFCD11188865 |
| Molecular Formula | C11H8F2O4 |
| Molecular Weight | 242.1756 |
| SMILES | COC(C(CC(C1=C(F)C=CC=C1F)=O)=O)=O |
| Synonyms | methyl 4-(2,6-difluorophenyl)-2,4-dioxobutanoate,
1037130-74-7,
AC1Q41MT,
CTK6I6932,
AKOS008118494,
ZINC100576331,
MCULE-4925893667,
NE31436,
EN300-41226,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.178g/mol |
| Monoisotopic Mass | 242.039g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number