| CAS Number | 1423029-70-2 |
| Catalog Number | AG01A1VW(AGN-PC-0WOD8N) |
| Chemical Name | 1-bromo-3-methanesulfonyl-2,2-dimethylpropane |
| IUPAC Name | 1-bromo-2,2-dimethyl-3-methylsulfonylpropane |
| InChI | InChI=1S/C6H13BrO2S/c1-6(2,4-7)5-10(3,8)9/h4-5H2,1-3H3 |
| InChI Key | BYLWRXDJHRLRNV-UHFFFAOYSA-N |
| MDL Number | MFCD21133671 |
| Molecular Formula | C6H13BrO2S |
| Molecular Weight | 229.1352 |
| SMILES | CC(CS(C)(=O)=O)(CBr)C |
| Synonyms | 1-bromo-3-methanesulfonyl-2,2-dimethylpropane,
1423029-70-2,
ZINC82164421,
AKOS014332076,
NE38556,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.132g/mol |
| Monoisotopic Mass | 227.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number