| CAS Number | 98821-28-4 |
| Catalog Number | AG005TUQ(AGN-PC-0OOZLF) |
| Chemical Name | (E)-2-(p-Tolyl)ethenesulfonyl chloride |
| IUPAC Name | 2-(4-methylphenyl)ethenesulfonyl chloride |
| InChI | InChI=1S/C9H9ClO2S/c1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-7H,1H3 |
| InChI Key | MRZCTZARTQWKLE-UHFFFAOYSA-N |
| MDL Number | MFCD04973464 |
| Molecular Formula | C9H9ClO2S |
| Molecular Weight | 216.6846 |
| SMILES | CC1=CC=C(/C=C/S(Cl)(=O)=O)C=C1 |
| Synonyms | 98821-28-4,
Ethenesulfonyl chloride, 2-(4-methylphenyl)-, (1E)-,
(E)-2-(p-Tolyl)ethenesulfonyl chloride,
ACMC-20m2jq,
CTK3F1305,
DTXSID30696475,
2-p-Tolyl-ethenesulfonyl chloride,
KS-000022RP,
AKOS030240950,
MCULE-3927781653,
2-(4-Methylphenyl)ethene-1-sulfonyl chloride,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.679g/mol |
| Monoisotopic Mass | 216.001g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number