| CAS Number | 162141-56-2 |
| Catalog Number | AG01AGBS |
| Chemical Name | Methyl 4-(chlorosulfonyl)-3-methoxybenzoate |
| IUPAC Name | methyl 4-chlorosulfonyl-3-methoxybenzoate |
| InChI | InChI=1S/C9H9ClO5S/c1-14-7-5-6(9(11)15-2)3-4-8(7)16(10,12)13/h3-5H,1-2H3 |
| InChI Key | PUJYXVAATTZGRU-UHFFFAOYSA-N |
| MDL Number | MFCD27959393 |
| Molecular Formula | C9H9ClO5S |
| Molecular Weight | 264.6828 |
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)S(=O)(=O)Cl |
| Synonyms | methyl 4-(chlorosulfonyl)-3-methoxybenzoate,
162141-56-2,
SCHEMBL9093802,
PUJYXVAATTZGRU-UHFFFAOYSA-N,
MFCD27959393,
ZINC97976187,
NE17263,
4-methoxycarbonyl-2-methoxybenzenesulfonyl chloride,
4- methoxycarbonyl-2-methoxybenzenesulfonyl chloride,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.676g/mol |
| Monoisotopic Mass | 263.986g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number