| CAS Number | 926244-40-8 |
| Catalog Number | AG019VTI |
| Chemical Name | 2-[5-(chlorosulfonyl)-2-methoxyphenyl]acetic acid |
| IUPAC Name | 2-(5-chlorosulfonyl-2-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C9H9ClO5S/c1-15-8-3-2-7(16(10,13)14)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | VEYWQGXIRSYCEW-UHFFFAOYSA-N |
| MDL Number | MFCD09049843 |
| Molecular Formula | C9H9ClO5S |
| Molecular Weight | 264.6828 |
| SMILES | COC1=C(CC(O)=O)C=C(S(Cl)(=O)=O)C=C1 |
| Synonyms | 2-[5-(chlorosulfonyl)-2-methoxyphenyl]acetic acid,
926244-40-8,
AKOS000133754,
ZINC100520616,
NE26920,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.676g/mol |
| Monoisotopic Mass | 263.986g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number