4-(Ethylsulfonyl)phenylacetic Acid - CAS 383135-47-5
Catalog: |
BB023632 |
Product Name: |
4-(Ethylsulfonyl)phenylacetic Acid |
CAS: |
383135-47-5 |
Synonyms: |
2-(4-ethylsulfonylphenyl)acetic acid; 2-(4-ethylsulfonylphenyl)acetic acid |
IUPAC Name: | 2-(4-ethylsulfonylphenyl)acetic acid |
Description: | 4-(Ethylsulfonyl)phenylacetic Acid (CAS# 383135-47-5) is a useful research chemical compound. |
Molecular Weight: | 228.26 |
Molecular Formula: | C10H12O4S |
Canonical SMILES: | CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)O |
InChI: | InChI=1S/C10H12O4S/c1-2-15(13,14)9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12) |
InChI Key: | FJOLLUNLZJLQMN-UHFFFAOYSA-N |
LogP: | 2.18810 |
Publication Number | Title | Priority Date |
CN-113072476-A | ROR gamma t inhibitor and preparation method and application thereof | 20200106 |
CN-113072521-A | ROR gamma t inhibitor and application thereof in medicine | 20200106 |
CN-113072546-A | Five-membered heteroaromatic derivative and preparation method and application thereof | 20200106 |
WO-2021139599-A1 | RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF | 20200106 |
WO-2021063362-A1 | Sulfo-substituted biaryl compound or salt thereof, preparation method therefor, and use thereof | 20190930 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.04563003 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.04563003 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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