| CAS Number | 7205-83-6 |
| Catalog Number | AG00IC7S(AGN-PC-0JV689) |
| Chemical Name | p-Chlorophenyl isopropyl sulfone |
| IUPAC Name | 1-chloro-4-propan-2-ylsulfonylbenzene |
| InChI | InChI=1S/C9H11ClO2S/c1-7(2)13(11,12)9-5-3-8(10)4-6-9/h3-7H,1-2H3 |
| InChI Key | ZKVPUWNTECRZSQ-UHFFFAOYSA-N |
| MDL Number | MFCD02328553 |
| Molecular Formula | C9H11ClO2S |
| Molecular Weight | 218.7004 |
| SMILES | CC(S(C1=CC=C(Cl)C=C1)(=O)=O)C |
| Synonyms | p-Chlorophenyl isopropyl sulfone,
7205-83-6,
1-chloro-4-(propane-2-sulfonyl)benzene,
1-Chloro-4-(isopropylsulfonyl)benzene,
Benzene, 1-chloro-4-[(1-methylethyl)sulfonyl]-,
1-chloro-4-propan-2-ylsulfonylbenzene,
Enamine_005812,
AC1LDYJ8,
SCHEMBL217302,
ZINC86639,
ZKVPUWNTECRZSQ-UHFFFAOYSA-N,
HMS1410I04,
AKOS001025554,
MCULE-5874060752,
IDI1_008047,
EN300-95344,
AS-871/36338006,
CID703486,
ZINC00086639,
4-chloro-1-(propane-2-sulphonyl)benzene,
|
| Complexity | 245 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number