| CAS Number | 1426437-45-7 |
| Catalog Number | AG01BA0N |
| Chemical Name | 5-(Chlorosulfonyl)-2-methylbenzoyl chloride |
| IUPAC Name | 5-chlorosulfonyl-2-methylbenzoyl chloride |
| InChI | InChI=1S/C8H6Cl2O3S/c1-5-2-3-6(14(10,12)13)4-7(5)8(9)11/h2-4H,1H3 |
| InChI Key | LIANSSSABWUTRH-UHFFFAOYSA-N |
| MDL Number | MFCD28397465 |
| Molecular Formula | C8H6Cl2O3S |
| Molecular Weight | 253.1024 |
| SMILES | O=C(Cl)C1=CC(S(=O)(Cl)=O)=CC=C1C |
| Synonyms | 5-(chlorosulfonyl)-2-methylbenzoyl chloride,
1426437-45-7,
SCHEMBL15575808,
LIANSSSABWUTRH-UHFFFAOYSA-N,
ZINC146418885,
5-chlorosulfonyl-2-methyl-benzoyl chloride,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.093g/mol |
| Monoisotopic Mass | 251.941g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number