| CAS Number | 623927-88-8 |
| Catalog Number | AG01FB3Q(AGN-PC-0H7V1A) |
| Chemical Name | Methyl 2-chloro-4-(methylsulfonyl)benzoate |
| IUPAC Name | methyl 2-chloro-4-methylsulfonylbenzoate |
| InChI | InChI=1S/C9H9ClO4S/c1-14-9(11)7-4-3-6(5-8(7)10)15(2,12)13/h3-5H,1-2H3 |
| InChI Key | OIMATTRWVJIHBF-UHFFFAOYSA-N |
| MDL Number | MFCD06204244 |
| Molecular Formula | C9H9ClO4S |
| Molecular Weight | 248.6834 |
| SMILES | COC(=O)c1ccc(cc1Cl)S(=O)(=O)C |
| Synonyms | 623927-88-8,
Methyl 2-chloro-4-(methylsulfonyl)benzoate,
Methyl 2-Chloro-4-(methylsulphonyl)benzoate,
SCHEMBL1258694,
KS-00003TPS,
OIMATTRWVJIHBF-UHFFFAOYSA-N,
ZINC44200204,
AKOS016344472,
methyl 2-chloro-4-methanesulfonylbenzoate,
TS-03408,
BB 0261983,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.677g/mol |
| Monoisotopic Mass | 247.991g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number