| CAS Number | 7472-46-0 |
| Catalog Number | AG019P7J(AGN-PC-05RCYY) |
| Chemical Name | 2-Bromo-3-methylbutanamide |
| IUPAC Name | 2-bromo-3-methylbutanamide |
| InChI | InChI=1S/C5H10BrNO/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H2,7,8) |
| InChI Key | RQLZQHFUAKKMNC-UHFFFAOYSA-N |
| MDL Number | MFCD09940935 |
| Molecular Formula | C5H10BrNO |
| Molecular Weight | 180.0430 |
| NSC Number | 402024 |
| SMILES | CC(C)C(C(=O)N)Br |
| Synonyms | 2-bromo-3-methylbutanamide,
7472-46-0,
NSC402024,
AC1L81KS,
SCHEMBL971072,
AC1Q1O07,
CTK5I5720,
DTXSID10322780,
AKOS000184039,
AKOS017283339,
NE30830,
NSC-402024,
EN300-22390,
CID344884,
|
| Complexity | 92.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.045g/mol |
| Monoisotopic Mass | 178.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number