Ethyl 2-(5-Chloro-3-indolyl)-2-oxoacetate - CAS 163160-58-5
Catalog: |
BB011954 |
Product Name: |
Ethyl 2-(5-Chloro-3-indolyl)-2-oxoacetate |
CAS: |
163160-58-5 |
Synonyms: |
2-(5-chloro-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate |
Description: | Ethyl 2-(5-Chloro-3-indolyl)-2-oxoacetate (CAS# 163160-58-5) is a useful research chemical. |
Molecular Weight: | 251.67 |
Molecular Formula: | C12H10ClNO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Cl |
InChI: | InChI=1S/C12H10ClNO3/c1-2-17-12(16)11(15)9-6-14-10-4-3-7(13)5-8(9)10/h3-6,14H,2H2,1H3 |
InChI Key: | WXWCGWHURZEBEH-UHFFFAOYSA-N |
LogP: | 2.56710 |
Publication Number | Title | Priority Date |
WO-2011112731-A2 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20100310 |
AU-2009291719-A1 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20080910 |
CA-2735369-A1 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20080910 |
EP-2324029-A2 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20080910 |
JP-2012502067-A | Heterocyclic inhibitors of histamine receptors for the treatment of diseases | 20080910 |
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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