| CAS Number | 13887-50-8 |
| Catalog Number | AG007ZPE(AGN-PC-0NJ3GS) |
| Chemical Name | 2-Bromo-N,N,2-trimethylpropanamide |
| IUPAC Name | 2-bromo-N,N,2-trimethylpropanamide |
| InChI | InChI=1S/C6H12BrNO/c1-6(2,7)5(9)8(3)4/h1-4H3 |
| InChI Key | CNUHUXQSZVLAGL-UHFFFAOYSA-N |
| MDL Number | MFCD20231578 |
| Molecular Formula | C6H12BrNO |
| Molecular Weight | 194.0696 |
| SMILES | CN(C(C(Br)(C)C)=O)C |
| Synonyms | 2-Bromo-N,N,2-trimethylpropanamide,
13887-50-8,
2-bromo-N,N,2-trimethylpropionamide,
Propanamide, 2-bromo-N,N,2-trimethyl-,
SCHEMBL8995607,
CTK0F2888,
DTXSID50499687,
CNUHUXQSZVLAGL-UHFFFAOYSA-N,
N,N-Dimethyl-2-bromoisobutyramide,
ZINC39234721,
AKOS022537454,
F1913-0283,
Z2671050311,
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| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.072g/mol |
| Monoisotopic Mass | 193.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number