| CAS Number | 1355048-98-4 |
| Catalog Number | AG01FFXD(AGN-PC-3H4AH7) |
| Chemical Name | Methyl 5-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
| IUPAC Name | methyl 5-bromo-2-(2-methoxy-2-oxoethyl)benzoate |
| InChI | InChI=1S/C11H11BrO4/c1-15-10(13)5-7-3-4-8(12)6-9(7)11(14)16-2/h3-4,6H,5H2,1-2H3 |
| InChI Key | QHKJASKHRONXLL-UHFFFAOYSA-N |
| MDL Number | MFCD11973706 |
| Molecular Formula | C11H11BrO4 |
| Molecular Weight | 287.1066 |
| SMILES | BrC1=CC(=C(C=C1)CC(=O)OC)C(=O)OC |
| Synonyms | SCHEMBL15766222,
METHYL 5-BROMO-2-(2-METHOXY-2-OXOETHYL)BENZOATE,
1355048-98-4,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.109g/mol |
| Monoisotopic Mass | 285.984g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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