| CAS Number | 65397-56-0 |
| Catalog Number | AG01A2Y3(AGN-PC-0NIU71) |
| Chemical Name | Methyl 2-(chlorosulfonyl)-5-methoxybenzoate |
| IUPAC Name | methyl 2-chlorosulfonyl-5-methoxybenzoate |
| InChI | InChI=1S/C9H9ClO5S/c1-14-6-3-4-8(16(10,12)13)7(5-6)9(11)15-2/h3-5H,1-2H3 |
| InChI Key | SMMSYONJPKXKNL-UHFFFAOYSA-N |
| MDL Number | MFCD16046401 |
| Molecular Formula | C9H9ClO5S |
| Molecular Weight | 264.6828 |
| SMILES | COC(C1=C(S(Cl)(=O)=O)C=CC(OC)=C1)=O |
| Synonyms | methyl 2-(chlorosulfonyl)-5-methoxybenzoate,
65397-56-0,
SCHEMBL1816360,
SMMSYONJPKXKNL-UHFFFAOYSA-N,
AKOS010827276,
ZINC100464873,
2-Chlorosulfonyl-5-methoxy-benzoic acid methyl ester,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number