| CAS Number | 53305-12-7 |
| Catalog Number | AG019GDT |
| Chemical Name | Methyl 2-(4-(chlorosulfonyl)phenyl)acetate |
| IUPAC Name | methyl 2-(4-chlorosulfonylphenyl)acetate |
| InChI | InChI=1S/C9H9ClO4S/c1-14-9(11)6-7-2-4-8(5-3-7)15(10,12)13/h2-5H,6H2,1H3 |
| InChI Key | MFNAEDWMLRNDKH-UHFFFAOYSA-N |
| MDL Number | MFCD16084560 |
| Molecular Formula | C9H9ClO4S |
| Molecular Weight | 248.6834 |
| SMILES | ClS(=O)(=O)C1=CC=C(C=C1)CC(=O)OC |
| Synonyms | methyl 2-[4-(chlorosulfonyl)phenyl]acetate,
53305-12-7,
Methyl 2-(4-(chlorosulfonyl)phenyl)acetate,
SCHEMBL184666,
MFNAEDWMLRNDKH-UHFFFAOYSA-N,
MFCD16084560,
AKOS010979138,
ZINC100631366,
NE38569,
Methyl [4-(chlorosulfonyl)phenyl]acetate,
methyl 2-(4-chlorosulfonylphenyl)acetate,
EN300-76619,
(4-Chlorosulfonyl-phenyl)-acetic acid methyl ester,
Benzeneacetic acid, 4-(chlorosulfonyl)-, methyl ester,
|
| Complexity | 312 |
| 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 | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number