Ethyl 2-(4-Chloro-3-indolyl)-2-oxoacetate - CAS 57791-14-7
Catalog: |
BB029823 |
Product Name: |
Ethyl 2-(4-Chloro-3-indolyl)-2-oxoacetate |
CAS: |
57791-14-7 |
Synonyms: |
2-(4-chloro-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(4-chloro-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(4-chloro-1H-indol-3-yl)-2-oxoacetate |
Description: | Ethyl 2-(4-Chloro-3-indolyl)-2-oxoacetate (CAS# 57791-14-7 ) is a useful research chemical. |
Molecular Weight: | 251.67 |
Molecular Formula: | C12H10ClNO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CNC2=C1C(=CC=C2)Cl |
InChI: | InChI=1S/C12H10ClNO3/c1-2-17-12(16)11(15)7-6-14-9-5-3-4-8(13)10(7)9/h3-6,14H,2H2,1H3 |
InChI Key: | OATQPIQQPUDTJF-UHFFFAOYSA-N |
Publication Number | Title | Priority Date |
US-2006166947-A1 | Multiple myeloma treatments | 20041001 |
CA-2540289-A1 | Substituted indole derivatives | 20031002 |
CA-2540343-A1 | Indole derivatives | 20031002 |
EP-1673373-A2 | Indole derivatives | 20031002 |
EP-1680428-A2 | Substituted indole derivatives | 20031002 |
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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