| CAS Number | 95904-25-9 |
| Catalog Number | AG005WJQ(AGN-PC-010A7B) |
| Chemical Name | 2-Bromo-N-(tert-butyl)butanamide |
| IUPAC Name | 2-bromo-N-tert-butylbutanamide |
| InChI | InChI=1S/C8H16BrNO/c1-5-6(9)7(11)10-8(2,3)4/h6H,5H2,1-4H3,(H,10,11) |
| InChI Key | DCTDIBXHVGIXFZ-UHFFFAOYSA-N |
| MDL Number | MFCD00297061 |
| Molecular Formula | C8H16BrNO |
| Molecular Weight | 222.1227 |
| SMILES | C(C(CC)Br)(=O)NC(C)(C)C |
| Synonyms | 2-Bromo-N-(tert-butyl)butanamide,
95904-25-9,
2-bromo-N-tert-butylbutanamide,
SCHEMBL6485296,
CTK5H8323,
DTXSID00586132,
MFCD00297061,
STK256818,
AKOS000100147,
AKOS016340779,
MCULE-3582327289,
QC-7835,
AB0097046,
BB 0217239,
W-6785,
CHEMBRDG-BB4024587,
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| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.126g/mol |
| Monoisotopic Mass | 221.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number