| CAS Number | 112704-82-2 |
| Catalog Number | AG01BDSU(AGN-PC-0P3TGA) |
| Chemical Name | ethyl 3-(3-bromo-4-chlorophenyl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-(3-bromo-4-chlorophenyl)-3-oxopropanoate |
| InChI | InChI=1S/C11H10BrClO3/c1-2-16-11(15)6-10(14)7-3-4-9(13)8(12)5-7/h3-5H,2,6H2,1H3 |
| InChI Key | IHOADSQFWLZGMH-UHFFFAOYSA-N |
| MDL Number | MFCD22200831 |
| Molecular Formula | C11H10BrClO3 |
| Molecular Weight | 305.5523 |
| SMILES | CCOC(CC(C1=CC(Br)=C(Cl)C=C1)=O)=O |
| Synonyms | ethyl 3-(3-bromo-4-chlorophenyl)-3-oxopropanoate,
112704-82-2,
ZINC97054400,
AKOS030756062,
MCULE-9155481022,
NE51108,
Z1860991742,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.552g/mol |
| Monoisotopic Mass | 303.95g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number