| CAS Number | 175711-74-7 |
| Catalog Number | AG019OKO |
| Chemical Name | Methyl 4-(2,5-difluorophenyl)-2,4-dioxobutanoate |
| IUPAC Name | methyl 4-(2,5-difluorophenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C11H8F2O4/c1-17-11(16)10(15)5-9(14)7-4-6(12)2-3-8(7)13/h2-4H,5H2,1H3 |
| InChI Key | HCEHCVYYRVQQLB-UHFFFAOYSA-N |
| MDL Number | MFCD07324746 |
| Molecular Formula | C11H8F2O4 |
| Molecular Weight | 242.1756 |
| SMILES | COC(C(CC(C1=C(F)C=CC(F)=C1)=O)=O)=O |
| Synonyms | methyl 4-(2,5-difluorophenyl)-2,4-dioxobutanoate,
175711-74-7,
AC1NI37B,
AC1Q41MR,
CTK6I6934,
AKOS009016297,
ZINC100492705,
MCULE-7865400348,
NE40516,
EN300-14300,
Z94601189,
CID4799707,
Methyl 4-(2,5-difluorophenyl)-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 | 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