(4-Methylsulfonylphenyl)acetic Acid Ethyl Ester - CAS 58058-86-9
Catalog: |
BB073937 |
Product Name: |
(4-Methylsulfonylphenyl)acetic Acid Ethyl Ester |
CAS: |
58058-86-9 |
Synonyms: |
ethyl 4-(methylsulfonyl)phenylacetate; ethyl 2-(4-methylsulfonylphenyl)acetate; ethyl(4-methanesulfonylphenyl)acetate; Ethyl (4-methanesulfonylphenyl)acetate; ethyl (4-methanesulfonylphenyl)-acetate; Benzeneacetic acid, 4-(methylsulfonyl)-, ethyl ester |
IUPAC Name: | ethyl 2-(4-methylsulfonylphenyl)acetate |
Description: | (4-Methylsulfonylphenyl)acetic Acid Ethyl Ester is used in preparation of Etoricoxib. |
Molecular Weight: | 242.29 |
Molecular Formula: | C11H14O4S |
Canonical SMILES: | CCOC(=O)CC1=CC=C(C=C1)S(=O)(=O)C |
InChI: | InChI=1S/C11H14O4S/c1-3-15-11(12)8-9-4-6-10(7-5-9)16(2,13)14/h4-7H,3,8H2,1-2H3 |
InChI Key: | OOGJEXQCBINWSB-UHFFFAOYSA-N |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0612801 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0612801 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 68.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
-
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-
-
[852913-16-7]
N-[3,5-Bis(trifluoromethyl)phenyl]-N-[(8a,9S)-6-methoxy-9-cinchonanyl]thiourea
-
[110782-31-5]
N-Benzoyl-5'-O-(4,4'-dimethoxytrityl)-2'-O-methyladenosine-3'-(2-cyanoethyl-N,N-diisopropyl)phosphoramidite
-
[6315-52-2]
Ethylene di(p-toluenesulfonate)
-
[70406-92-7]
N-(6-Amino-2,3-dichlorobenzyl)glycine ethyl ester
-
[30879-49-3]
2'-Nitro-5'-hydroxyacetophenone
INDUSTRY LEADERS TRUST OUR PRODUCTS