| CAS Number | 648905-09-3 |
| Catalog Number | AG006RTY(AGN-PC-03YP3U) |
| Chemical Name | 4-Bromo-2-chloro-1-methanesulfonylbenzene |
| IUPAC Name | 4-bromo-2-chloro-1-methylsulfonylbenzene |
| InChI | InChI=1S/C7H6BrClO2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3 |
| InChI Key | QOIHZAYTOAGCNP-UHFFFAOYSA-N |
| MDL Number | MFCD26131172 |
| Molecular Formula | C7H6BrClO2S |
| Molecular Weight | 269.5433 |
| SMILES | BrC1=CC(=C(C=C1)S(=O)(=O)C)Cl |
| Synonyms | 648905-09-3,
4-Bromo-2-chloro-1-methanesulfonylbenzene,
Benzene, 4-bromo-2-chloro-1-(methylsulfonyl)-,
SCHEMBL1581780,
CTK2A1887,
DTXSID70630555,
QOIHZAYTOAGCNP-UHFFFAOYSA-N,
ZINC90549064,
4-bromo-2-chlorophenyl methyl sulfone,
4-bromo-2-chloro-methanesulfonylbenzene,
4-Bromo-2-chloro-1-methanesulfonyl-benzene,
4-Bromo-2-chloro-1-(methanesulfonyl)benzene,
V7114,
C7H6BrClO2S,
4-bromo-2-chloro-1-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