| CAS Number | 1099632-53-7 |
| Catalog Number | AG01AM6G |
| Chemical Name | 2-Propylbenzene-1-sulfonyl chloride |
| IUPAC Name | 2-propylbenzenesulfonyl chloride |
| InChI | InChI=1S/C9H11ClO2S/c1-2-5-8-6-3-4-7-9(8)13(10,11)12/h3-4,6-7H,2,5H2,1H3 |
| InChI Key | NAURBQKSUZFYQT-UHFFFAOYSA-N |
| MDL Number | MFCD11650674 |
| Molecular Formula | C9H11ClO2S |
| Molecular Weight | 218.7004 |
| SMILES | CCCC1=C(S(Cl)(=O)=O)C=CC=C1 |
| Synonyms | 2-propylbenzene-1-sulfonyl chloride,
1099632-53-7,
propyl benzenesulfonyl chloride,
n-propylbenzenesulfonyl chloride,
SCHEMBL4446851,
NAURBQKSUZFYQT-UHFFFAOYSA-N,
AKOS009384839,
ZINC106549155,
|
| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.695g/mol |
| Monoisotopic Mass | 218.017g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number