| CAS Number | 42877-95-2 |
| Catalog Number | AG01B987(AGN-PC-00O457) |
| Chemical Name | tert-Butyl 2-bromo-3-methylbutanoate |
| IUPAC Name | tert-butyl 2-bromo-3-methylbutanoate |
| InChI | InChI=1S/C9H17BrO2/c1-6(2)7(10)8(11)12-9(3,4)5/h6-7H,1-5H3 |
| InChI Key | KNIZFFZJAVQDNV-UHFFFAOYSA-N |
| MDL Number | MFCD00800219 |
| Molecular Formula | C9H17BrO2 |
| Molecular Weight | 237.1341 |
| SMILES | BrC(C(=O)OC(C)(C)C)C(C)C |
| Synonyms | tert-butyl 2-bromo-3-methylbutanoate,
42877-95-2,
tert-Butyl a-bromoisovalerate,
SCHEMBL3210435,
KNIZFFZJAVQDNV-UHFFFAOYSA-N,
AKOS014313502,
(+)-t-butyl 2-bromo-3-methylbutyrate,
t-butyl 2-bromoisovalerate,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.137g/mol |
| Monoisotopic Mass | 236.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number