| CAS Number | 1172485-75-4 |
| Catalog Number | AG019UMG |
| Chemical Name | 1,4-dichloro-2-(2-chloroethanesulfinyl)benzene |
| IUPAC Name | 1,4-dichloro-2-(2-chloroethylsulfinyl)benzene |
| InChI | InChI=1S/C8H7Cl3OS/c9-3-4-13(12)8-5-6(10)1-2-7(8)11/h1-2,5H,3-4H2 |
| InChI Key | SDNCAEADPJTMKV-UHFFFAOYSA-N |
| MDL Number | MFCD11857870 |
| Molecular Formula | C8H7Cl3OS |
| Molecular Weight | 257.5646 |
| SMILES | ClCCS(C1=C(Cl)C=CC(Cl)=C1)=O |
| Synonyms | 1,4-dichloro-2-(2-chloroethanesulfinyl)benzene,
1,4-dichloro-2-[(2-chloroethane)sulfinyl]benzene,
1172485-75-4,
AC1Q3VBZ,
CTK8F3001,
NE40413,
EN300-42138,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.553g/mol |
| Monoisotopic Mass | 255.928g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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