| CAS Number | 70398-96-8 |
| Catalog Number | AG01FERU(AGN-PC-03WINN) |
| Chemical Name | m-Chlorophenyl isopropyl sulfone |
| IUPAC Name | 1-chloro-3-propan-2-ylsulfonylbenzene |
| InChI | InChI=1S/C9H11ClO2S/c1-7(2)13(11,12)9-5-3-4-8(10)6-9/h3-7H,1-2H3 |
| InChI Key | IZGZMLDVYITHEE-UHFFFAOYSA-N |
| MDL Number | MFCD26792623 |
| Molecular Formula | C9H11ClO2S |
| Molecular Weight | 218.7004 |
| SMILES | Clc1cccc(c1)S(=O)(=O)C(C)C |
| Synonyms | m-Chlorophenyl isopropyl sulfone,
70398-96-8,
SCHEMBL2629470,
ZINC96024741,
1-Chloro-3-propan-2-ylsulfonylbenzene,
A1-05762,
1-chloro-3-(isopropylsulfonyl)benzene,
|
| Complexity | 253 |
| 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 | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number