| CAS Number | 1017044-59-5 |
| Catalog Number | AG019KYR |
| Chemical Name | 2-bromo-N-(2,3-dimethylphenyl)-3-methylbutanamide |
| IUPAC Name | 2-bromo-N-(2,3-dimethylphenyl)-3-methylbutanamide |
| InChI | InChI=1S/C13H18BrNO/c1-8(2)12(14)13(16)15-11-7-5-6-9(3)10(11)4/h5-8,12H,1-4H3,(H,15,16) |
| InChI Key | UDJXCQKCPQCICF-UHFFFAOYSA-N |
| MDL Number | MFCD09944887 |
| Molecular Formula | C13H18BrNO |
| Molecular Weight | 284.1921 |
| SMILES | CC(C(C(NC1=C(C)C(C)=CC=C1)=O)Br)C |
| Synonyms | 2-bromo-N-(2,3-dimethylphenyl)-3-methylbutanamide,
1017044-59-5,
AKOS000191661,
NE26704,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.197g/mol |
| Monoisotopic Mass | 283.057g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number