(αR)-2-Chloro-α-[(phenylsulfonyl)oxy]-benzeneacetic Acid Ethyl Ester - CAS 1798818-13-9
Catalog: |
BB069855 |
Product Name: |
(αR)-2-Chloro-α-[(phenylsulfonyl)oxy]-benzeneacetic Acid Ethyl Ester |
CAS: |
1798818-13-9 |
Synonyms: |
(R)-Ethyl 2-(Benzenesulfonyloxy)-2-(2-chlorophenyl)acetate |
IUPAC Name: | ethyl (2R)-2-(benzenesulfonyloxy)-2-(2-chlorophenyl)acetate |
Description: | (αR)-2-Chloro-α-[(phenylsulfonyl)oxy]-benzeneacetic Acid Ethyl Ester is an intermediate in the preparation of Ethyl-S-(+)-Clopidogrel Sulfate (E904100). |
Molecular Weight: | 354.81 |
Molecular Formula: | C16H15ClO5S |
Canonical SMILES: | CCOC(=O)C(C1=CC=CC=C1Cl)OS(=O)(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C16H15ClO5S/c1-2-21-16(18)15(13-10-6-7-11-14(13)17)22-23(19,20)12-8-4-3-5-9-12/h3-11,15H,2H2,1H3/t15-/m1/s1 |
InChI Key: | RVZMVTHXEFCZJI-OAHLLOKOSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Pale Yellow Oil |
Storage: | Refrigerator, under inert atmosphere |
Complexity: | 481 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 354.0328724 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 354.0328724 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 78Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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