| CAS Number | 914224-26-3 |
| Catalog Number | AG003AHU(AGN-PC-05IX6R) |
| Chemical Name | 2-Bromo-4-(Tert-Butoxy)-4-Oxobutanoic Acid |
| IUPAC Name | 2-bromo-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid |
| InChI | InChI=1S/C8H13BrO4/c1-8(2,3)13-6(10)4-5(9)7(11)12/h5H,4H2,1-3H3,(H,11,12) |
| InChI Key | DRYUSTNSODJZDB-UHFFFAOYSA-N |
| MDL Number | MFCD09032889 |
| Molecular Formula | C8H13BrO4 |
| Molecular Weight | 253.0904 |
| SMILES | BrC(C(=O)O)CC(=O)OC(C)(C)C |
| Synonyms | 2-bromo-4-(tert-butoxy)-4-oxobutanoic acid,
914224-26-3,
SCHEMBL4641820,
AKOS015964706,
2-Bromo-4-[(2-methyl-2-propanyl)oxy]-4-oxobutanoic acid,
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| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.092g/mol |
| Monoisotopic Mass | 252g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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