| CAS Number | 914224-29-6 |
| Catalog Number | AG01BRVC |
| Chemical Name | 4-Tert-Butyl 1-Methyl 2-Bromosuccinate |
| IUPAC Name | 4-O-tert-butyl 1-O-methyl 2-bromobutanedioate |
| InChI | InChI=1S/C9H15BrO4/c1-9(2,3)14-7(11)5-6(10)8(12)13-4/h6H,5H2,1-4H3 |
| InChI Key | RMYNMVDLUFHECX-UHFFFAOYSA-N |
| MDL Number | MFCD09032890 |
| Molecular Formula | C9H15BrO4 |
| Molecular Weight | 267.1170 |
| SMILES | O=C(OC)C(Br)CC(OC(C)(C)C)=O |
| Synonyms | 4-tert-butyl 1-methyl 2-bromosuccinate,
914224-29-6,
SCHEMBL15952124,
AKOS015964707,
1-Methyl 4-(2-methyl-2-propanyl) 2-bromosuccinate,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.119g/mol |
| Monoisotopic Mass | 266.015g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number