| CAS Number | 87943-96-2 |
| Catalog Number | AG004D5N(AGN-PC-0VHSIE) |
| Chemical Name | Ethyl 2-bromo-3-(4-methoxyphenyl)-3-oxo-propanoate |
| IUPAC Name | ethyl 2-bromo-3-(4-methoxyphenyl)-3-oxopropanoate |
| InChI | InChI=1S/C12H13BrO4/c1-3-17-12(15)10(13)11(14)8-4-6-9(16-2)7-5-8/h4-7,10H,3H2,1-2H3 |
| InChI Key | OWFFTVVEZANQDO-UHFFFAOYSA-N |
| MDL Number | MFCD07783810 |
| Molecular Formula | C12H13BrO4 |
| Molecular Weight | 301.1332 |
| SMILES | BrC(C(=O)OCC)C(=O)C1=CC=C(C=C1)OC |
| Synonyms | 87943-96-2,
ethyl 2-bromo-3-(4-methoxyphenyl)-3-oxopropanoate,
Ethyl 2-bromo-3-(4-methoxyphenyl)-3-oxo-propanoate,
a-Bromo-4-methoxy-b-oxo-benzenepropanoic acid ethyl ester,
Benzenepropanoic acid, a-bromo-4-methoxy-b-oxo-, ethyl ester,
SCHEMBL3129736,
CTK5F9179,
DTXSID20516411,
OWFFTVVEZANQDO-UHFFFAOYSA-N,
MFCD07783810,
AKOS015961894,
AC-15134,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.136g/mol |
| Monoisotopic Mass | 300g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number