| CAS Number | 1029145-99-0 |
| Catalog Number | AG0095JN(AGN-PC-0WCMAG) |
| Chemical Name | 3-Bromo-4-methylbenzene-1-sulfonyl chloride |
| IUPAC Name | 3-bromo-4-methylbenzenesulfonyl chloride |
| InChI | InChI=1S/C7H6BrClO2S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h2-4H,1H3 |
| InChI Key | WAABTFILMSXGKZ-UHFFFAOYSA-N |
| MDL Number | MFCD12922946 |
| Molecular Formula | C7H6BrClO2S |
| Molecular Weight | 269.5433 |
| SMILES | BrC=1C=C(C=CC1C)S(=O)(=O)Cl |
| Synonyms | 3-bromo-4-methylbenzene-1-sulfonyl chloride,
1029145-99-0,
3-Bromo-4-methyl-benzenesulfonyl chloride,
3-bromo-4-methylbenzenesulfonyl chloride,
SCHEMBL7546641,
MFCD12922946,
AKOS012638238,
ZINC100650200,
AM86225,
NE15664,
BS-13713,
EN300-93224,
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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 | 3 |
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Certificate of Analysis
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