| CAS Number | 668969-68-4 |
| Catalog Number | AG006QA7(AGN-PC-0TMH3G) |
| Chemical Name | ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate |
| IUPAC Name | ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate |
| InChI | InChI=1S/C10H8BrFO3/c1-2-15-10(14)9(13)7-5-6(11)3-4-8(7)12/h3-5H,2H2,1H3 |
| InChI Key | YMQNEIXEJHZWSB-UHFFFAOYSA-N |
| MDL Number | MFCD22375106 |
| Molecular Formula | C10H8BrFO3 |
| Molecular Weight | 275.0711 |
| SMILES | BrC=1C=CC(=C(C1)C(C(=O)OCC)=O)F |
| Synonyms | Ethyl 2-(5-bromo-2-fluorophenyl)-2-oxoacetate,
668969-68-4,
Ethyl (5-bromo-2-fluorophenyl)(oxo)acetate,
ACMC-209nwv,
SCHEMBL1173265,
CTK8B2124,
DTXSID80728876,
YMQNEIXEJHZWSB-UHFFFAOYSA-N,
ANW-35261,
MFCD22375106,
ZINC82726877,
AKOS022857082,
CJ-22090,
TC-124006,
V7199,
(5-bromo-2-fluoro-phenyl)-oxo-acetic acid ethyl ester,
C10H8BrFO3,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.073g/mol |
| Monoisotopic Mass | 273.964g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number