| CAS Number | 156450-83-8 |
| Catalog Number | AG01A7M8 |
| Chemical Name | 1-(3-Bromopropoxy)-4-methanesulfonylbenzene |
| IUPAC Name | 1-(3-bromopropoxy)-4-methylsulfonylbenzene |
| InChI | InChI=1S/C10H13BrO3S/c1-15(12,13)10-5-3-9(4-6-10)14-8-2-7-11/h3-6H,2,7-8H2,1H3 |
| InChI Key | FSRCQASKMSSBIP-UHFFFAOYSA-N |
| MDL Number | MFCD12066161 |
| Molecular Formula | C10H13BrO3S |
| Molecular Weight | 293.1774 |
| SMILES | CS(C1=CC=C(OCCCBr)C=C1)(=O)=O |
| Synonyms | 1-(3-bromopropoxy)-4-methanesulfonylbenzene,
156450-83-8,
AC1Q4GJR,
SCHEMBL9169172,
CTK5J0284,
FSRCQASKMSSBIP-UHFFFAOYSA-N,
ZINC34504622,
NE26667,
EN300-59137,
1-(3-bromopropoxy)-4-(methylsulfonyl) benzene,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.175g/mol |
| Monoisotopic Mass | 291.977g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number