| CAS Number | 255051-34-4 |
| Catalog Number | AG01FOIR(AGN-PC-0WCWC3) |
| Chemical Name | 1-bromo-4-chloro-2-(methylsulfanyl)benzene |
| IUPAC Name | 1-bromo-4-chloro-2-methylsulfanylbenzene |
| InChI | InChI=1S/C7H6BrClS/c1-10-7-4-5(9)2-3-6(7)8/h2-4H,1H3 |
| InChI Key | DYZDWOUTMZQILR-UHFFFAOYSA-N |
| MDL Number | MFCD22488881 |
| Molecular Formula | C7H6BrClS |
| Molecular Weight | 237.5445 |
| SMILES | CSc1cc(Cl)ccc1Br |
| Synonyms | (2-bromo-5-chlorophenyl)(methyl)sulfane,
SCHEMBL1492565,
DYZDWOUTMZQILR-UHFFFAOYSA-N,
ZINC116338420,
1-bromo-4-chloro-2-methylsulfanylbenzene,
255051-34-4,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.906g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.539g/mol |
| Monoisotopic Mass | 235.906g/mol |
| Rotatable Bond Count | 1 |
| 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