| CAS Number | 139769-20-3 |
| Catalog Number | AG01BVC4(AGN-PC-0KZBRH) |
| Chemical Name | 1-Iodo-3-methanesulfonylbenzene |
| IUPAC Name | 1-iodo-3-methylsulfonylbenzene |
| InChI | InChI=1S/C7H7IO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChI Key | XTSLBDJQPAYELB-UHFFFAOYSA-N |
| MDL Number | MFCD00955956 |
| Molecular Formula | C7H7IO2S |
| Molecular Weight | 282.0987 |
| SMILES | CS(C1=CC(I)=CC=C1)(=O)=O |
| Synonyms | 1-iodo-3-methanesulfonylbenzene,
139769-20-3,
1-IODO-3-(METHYLSULFONYL)BENZENE,
AC1MVM37,
3-methanesulphonyliodobenzene,
1-iodo-3-methylsulfonylbenzene,
SCHEMBL3667501,
XTSLBDJQPAYELB-UHFFFAOYSA-N,
ZINC5362120,
Benzene, 1-iodo-3-(methylsulfonyl)-,
AB07764,
FT-0739881,
1-iodo-3-methylsulfonyl-benzene,
CID3735051,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.095g/mol |
| Monoisotopic Mass | 281.921g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number