| CAS Number | 1351385-62-0 |
| Catalog Number | AG01B74A |
| Chemical Name | 1-bromo-4-(1-methanesulfonylethyl)benzene |
| IUPAC Name | 1-bromo-4-(1-methylsulfonylethyl)benzene |
| InChI | InChI=1S/C9H11BrO2S/c1-7(13(2,11)12)8-3-5-9(10)6-4-8/h3-7H,1-2H3 |
| InChI Key | BSQUQSQIKNNDRV-UHFFFAOYSA-N |
| MDL Number | MFCD20492010 |
| Molecular Formula | C9H11BrO2S |
| Molecular Weight | 263.1514 |
| SMILES | CC(S(C)(=O)=O)C1=CC=C(Br)C=C1 |
| Synonyms | 1-bromo-4-(1-methanesulfonylethyl)benzene,
1351385-62-0,
AKOS033800105,
Z2204637783,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.149g/mol |
| Monoisotopic Mass | 261.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number