| CAS Number | 57877-28-8 |
| Catalog Number | AG019S1H(AGN-PC-0NI841) |
| Chemical Name | 2-Tert-Butylbenzene-1-Sulfonyl Chloride |
| IUPAC Name | 2-tert-butylbenzenesulfonyl chloride |
| InChI | InChI=1S/C10H13ClO2S/c1-10(2,3)8-6-4-5-7-9(8)14(11,12)13/h4-7H,1-3H3 |
| InChI Key | ICXIVBYQRNOIJJ-UHFFFAOYSA-N |
| MDL Number | MFCD11650640 |
| Molecular Formula | C10H13ClO2S |
| Molecular Weight | 232.7270 |
| SMILES | CC(C1=C(S(Cl)(=O)=O)C=CC=C1)(C)C |
| Synonyms | 2-tert-butylbenzene-1-sulfonyl chloride,
57877-28-8,
t-butylbenzenesulfonyl chloride,
SCHEMBL1095473,
ICXIVBYQRNOIJJ-UHFFFAOYSA-N,
AKOS009386149,
ZINC100648474,
NE43760,
EN300-91422,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.722g/mol |
| Monoisotopic Mass | 232.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number