| CAS Number | 120100-04-1 |
| Catalog Number | AG0098O5(AGN-PC-003VW2) |
| Chemical Name | Methyl 2-chloro-3-methyl-4-methylsulfonylbenzoate |
| IUPAC Name | methyl 2-chloro-3-methyl-4-methylsulfonylbenzoate |
| InChI | InChI=1S/C10H11ClO4S/c1-6-8(16(3,13)14)5-4-7(9(6)11)10(12)15-2/h4-5H,1-3H3 |
| InChI Key | BBWCBPYXCNCYAT-UHFFFAOYSA-N |
| MDL Number | MFCD09955579 |
| Molecular Formula | C10H11ClO4S |
| Molecular Weight | 262.7099 |
| SMILES | O=C(OC)C1=CC=C(S(=O)(C)=O)C(C)=C1Cl |
| Synonyms | 120100-04-1,
METHYL 2-CHLORO-3-METHYL-4-METHYLSULFONYLBENZOATE,
METHYL 2-CHLORO-4-METHANESULFONYL-3-METHYLBENZOATE,
SCHEMBL4268094,
DTXSID50568746,
BBWCBPYXCNCYAT-UHFFFAOYSA-N,
Methyl 2-chloro-4-(methanesulfonyl)-3-methylbenzoate,
|
| Complexity | 360 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.704g/mol |
| Monoisotopic Mass | 262.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number