Ethyl 2-(7-Chloro-3-indolyl)-2-oxoacetate - CAS 863289-30-9
Catalog: |
BB037892 |
Product Name: |
Ethyl 2-(7-Chloro-3-indolyl)-2-oxoacetate |
CAS: |
863289-30-9 |
Synonyms: |
2-(7-chloro-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(7-chloro-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(7-chloro-1H-indol-3-yl)-2-oxoacetate |
Description: | Ethyl 2-(7-Chloro-3-indolyl)-2-oxoacetate (CAS# 863289-30-9 ) is a useful research chemical. |
Molecular Weight: | 251.67 |
Molecular Formula: | C12H10ClNO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CNC2=C1C=CC=C2Cl |
InChI: | InChI=1S/C12H10ClNO3/c1-2-17-12(16)11(15)8-6-14-10-7(8)4-3-5-9(10)13/h3-6,14H,2H2,1H3 |
InChI Key: | LYRNOVZMMWKIOR-UHFFFAOYSA-N |
LogP: | 2.56710 |
Publication Number | Title | Priority Date |
US-2016168128-A1 | Inhibitors of cellular necrosis and related methods | 20141211 |
US-2016304498-A1 | Inhibitors of cellular necrosis and related methods | 20141211 |
US-2019023690-A1 | Inhibitors of cellular necrosis and related methods | 20141211 |
US-9499521-B2 | Inhibitors of cellular necrosis and related methods | 20141211 |
US-9944628-B2 | Inhibitors of cellular necrosis and related methods | 20141211 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.0349209 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.0349209 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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