Ethyl 2-(6-Fluoro-3-indolyl)-2-oxoacetate - CAS 213886-56-7
Catalog: |
BB016812 |
Product Name: |
Ethyl 2-(6-Fluoro-3-indolyl)-2-oxoacetate |
CAS: |
213886-56-7 |
Synonyms: |
2-(6-fluoro-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate |
Description: | Ethyl 2-(6-Fluoro-3-indolyl)-2-oxoacetate (CAS# 213886-56-7 ) is a useful research chemical. |
Molecular Weight: | 235.21 |
Molecular Formula: | C12H10FNO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CNC2=C1C=CC(=C2)F |
InChI: | InChI=1S/C12H10FNO3/c1-2-17-12(16)11(15)9-6-14-10-5-7(13)3-4-8(9)10/h3-6,14H,2H2,1H3 |
InChI Key: | BVGFMLFFJGZOBL-UHFFFAOYSA-N |
LogP: | 2.05280 |
Publication Number | Title | Priority Date |
CN-110551103-A | JAK3 selective inhibitor | 20180530 |
AU-2019278104-A1 | JAK3 selective inhibitor | 20180530 |
EP-3805214-A1 | Jak3 selective inhibitor | 20180530 |
KR-20210023902-A | JAK3 selective inhibitor | 20180530 |
JP-2021526144-A | JAK3 selective inhibitor | 20180530 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.06447134 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.06447134 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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