| CAS Number | 78967-61-0 |
| Catalog Number | AG01A2DI(AGN-PC-00LXG4) |
| Chemical Name | Bromo(methanesulfonyl)methane |
| IUPAC Name | bromo(methylsulfonyl)methane |
| InChI | InChI=1S/C2H5BrO2S/c1-6(4,5)2-3/h2H2,1H3 |
| InChI Key | ORVHFQDFCYNSQR-UHFFFAOYSA-N |
| MDL Number | MFCD20621856 |
| Molecular Formula | C2H5BrO2S |
| Molecular Weight | 173.0289 |
| SMILES | CS(=O)(=O)CBr |
| Synonyms | bromo(methanesulfonyl)methane,
78967-61-0,
Bromo(methylsulfonyl)methane,
bromomethyl methyl sulfone,
SCHEMBL513702,
ZINC40163715,
AKOS005206975,
NE16659,
BS-12679,
Bromo-methanesulfonyl-methane,
Methane, bromo(methylsulfonyl)-,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.91936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.03g/mol |
| Monoisotopic Mass | 171.91936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number