| CAS Number | 171102-21-9 |
| Catalog Number | AG01A4L8 |
| Chemical Name | Ethyl 3-(4-chloro-2-fluorophenyl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(4-chloro-2-fluorophenyl)-3-oxopropanoate |
| InChI | InChI=1S/C11H10ClFO3/c1-2-16-11(15)6-10(14)8-4-3-7(12)5-9(8)13/h3-5H,2,6H2,1H3 |
| InChI Key | QRRFIUQAXZIQMH-UHFFFAOYSA-N |
| MDL Number | MFCD16810306 |
| Molecular Formula | C11H10ClFO3 |
| Molecular Weight | 244.6467 |
| SMILES | CCOC(CC(C1=C(F)C=C(Cl)C=C1)=O)=O |
| Synonyms | Ethyl 3-(4-chloro-2-fluorophenyl)-3-oxopropanoate,
171102-21-9,
SCHEMBL6318986,
QRRFIUQAXZIQMH-UHFFFAOYSA-N,
KS-00001KL9,
MFCD16810306,
ZINC38351642,
AKOS012381130,
NE24438,
CCOC(=O)CC(=O)C1=CC=C(Cl)C=C1F,
A1-10398,
ethyl 3-(4-chloro-2-fluorophenyl)-3-oxopropionate,
CID11195926,
Ethyl 3-(4-chloro-2-fluoro-phenyl)-3-oxo-propanoate,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.646g/mol |
| Monoisotopic Mass | 244.03g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number