| CAS Number | 95904-26-0 |
| Catalog Number | AG019KYV(AGN-PC-00OA0R) |
| Chemical Name | 2-bromo-N-tert-butyl-3-methylbutanamide |
| IUPAC Name | 2-bromo-N-tert-butyl-3-methylbutanamide |
| InChI | InChI=1S/C9H18BrNO/c1-6(2)7(10)8(12)11-9(3,4)5/h6-7H,1-5H3,(H,11,12) |
| InChI Key | CRJGBGHVAPNGBD-UHFFFAOYSA-N |
| MDL Number | MFCD01069194 |
| Molecular Formula | C9H18BrNO |
| Molecular Weight | 236.1493 |
| SMILES | CC(C(C(NC(C)(C)C)=O)Br)C |
| Synonyms | 2-bromo-N-tert-butyl-3-methylbutanamide,
95904-26-0,
AC1Q1NZT,
CTK6A3604,
AKOS000167956,
AKOS022340996,
MCULE-2641139788,
NE40608,
EN300-29055,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.153g/mol |
| Monoisotopic Mass | 235.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number