| CAS Number | 13290-31-8 |
| Catalog Number | AG01A7N2(AGN-PC-0NK8UU) |
| Chemical Name | 1-[(2-Bromoethyl)sulfanyl]-4-chlorobenzene |
| IUPAC Name | 1-(2-bromoethylsulfanyl)-4-chlorobenzene |
| InChI | InChI=1S/C8H8BrClS/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,5-6H2 |
| InChI Key | XJHPOHQYGWJCGT-UHFFFAOYSA-N |
| MDL Number | MFCD09948099 |
| Molecular Formula | C8H8BrClS |
| Molecular Weight | 251.5711 |
| SMILES | ClC1=CC=C(SCCBr)C=C1 |
| Synonyms | 1-[(2-bromoethyl)sulfanyl]-4-chlorobenzene,
13290-31-8,
AC1Q3JYN,
SCHEMBL20448668,
CTK5J0431,
ZINC19513448,
AKOS000193463,
NE26351,
EN300-59208,
|
| Complexity | 102 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.566g/mol |
| Monoisotopic Mass | 249.922g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 25.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number