| CAS Number | 918350-18-2 |
| Catalog Number | AG006SH1(AGN-PC-0CV6UZ) |
| Chemical Name | 2-Bromo-1-chloro-4-methanesulfonylbenzene |
| IUPAC Name | 2-bromo-1-chloro-4-methylsulfonylbenzene |
| InChI | InChI=1S/C7H6BrClO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,1H3 |
| InChI Key | YBOJFMIMXWZZNC-UHFFFAOYSA-N |
| MDL Number | MFCD01074211 |
| Molecular Formula | C7H6BrClO2S |
| Molecular Weight | 269.5433 |
| SMILES | CS(C1=CC(Br)=C(Cl)C=C1)(=O)=O |
| Synonyms | 918350-18-2,
2-Bromo-1-chloro-4-(methylsulfonyl)benzene,
Benzene, 2-bromo-1-chloro-4-(methylsulfonyl)-,
2-BROMO-1-CHLORO-4-METHANESULFONYLBENZENE,
SCHEMBL3591889,
CTK3H7838,
DTXSID30731355,
YBOJFMIMXWZZNC-UHFFFAOYSA-N,
ZINC90487935,
2-bromo-1-chloro-4-methanesulfonyl-benzene,
2-Bromo-1-chloro-4-(methanesulfonyl)benzene,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.537g/mol |
| Monoisotopic Mass | 267.896g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number