| CAS Number | 1041553-00-7 |
| Catalog Number | AG019Y0J |
| Chemical Name | ethyl 4-(2,6-dichloro-3-fluorophenyl)-2,4-dioxobutanoate |
| IUPAC Name | ethyl 4-(2,6-dichloro-3-fluorophenyl)-2,4-dioxobutanoate |
| InChI | InChI=1S/C12H9Cl2FO4/c1-2-19-12(18)9(17)5-8(16)10-6(13)3-4-7(15)11(10)14/h3-4H,2,5H2,1H3 |
| InChI Key | ZNWRLCTUZLOYOB-UHFFFAOYSA-N |
| MDL Number | MFCD12548642 |
| Molecular Formula | C12H9Cl2FO4 |
| Molecular Weight | 307.1019 |
| SMILES | CCOC(C(CC(C1=C(Cl)C(F)=CC=C1Cl)=O)=O)=O |
| Synonyms | ethyl 4-(2,6-dichloro-3-fluorophenyl)-2,4-dioxobutanoate,
1041553-00-7,
AC1Q31XK,
CTK6F3410,
AKOS008109041,
ZINC100599740,
MCULE-8809741572,
NE23555,
EN300-56559,
Z234894585,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 305.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.098g/mol |
| Monoisotopic Mass | 305.986g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 60.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number