| CAS Number | 1950-69-2 |
| Catalog Number | AG00AOL9(AGN-PC-0MZAGA) |
| Chemical Name | 4-Toluenesulfonyl bromide |
| IUPAC Name | 4-methylbenzenesulfonyl bromide |
| InChI | InChI=1S/C7H7BrO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3 |
| InChI Key | NTSFJZORNYYLFW-UHFFFAOYSA-N |
| MDL Number | MFCD00461454 |
| Molecular Formula | C7H7BrO2S |
| Molecular Weight | 235.0983 |
| SMILES | O=S(C1=CC=C(C)C=C1)(Br)=O |
| Synonyms | 1950-69-2,
tosyl bromide,
4-methylbenzenesulfonyl bromide,
4-TOLUENESULFONYL BROMIDE,
4-methylbenzene-1-sulfonyl bromide,
Benzenesulfonylbromide, 4-methyl-,
p-toluenesulfonyl bromide,
SCHEMBL1153998,
4-methyl-benzenesulfonyl bromide,
CTK0H4336,
DTXSID20436044,
NTSFJZORNYYLFW-UHFFFAOYSA-N,
AKOS015914769,
ZINC100025246,
AN-50139,
950T692,
I14-41562,
CID10130885,
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| Complexity | 209 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.095g/mol |
| Monoisotopic Mass | 233.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number