Methyl 2-(4-Chloro-3-indolyl)-2-oxoacetate - CAS 425640-07-9
Catalog: |
BB025172 |
Product Name: |
Methyl 2-(4-Chloro-3-indolyl)-2-oxoacetate |
CAS: |
425640-07-9 |
Synonyms: |
2-(4-chloro-1H-indol-3-yl)-2-oxoacetic acid methyl ester; methyl 2-(4-chloro-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | methyl 2-(4-chloro-1H-indol-3-yl)-2-oxoacetate |
Description: | Methyl 2-(4-Chloro-3-indolyl)-2-oxoacetate (CAS# 425640-07-9 ) is a useful research chemical. |
Molecular Weight: | 237.64 |
Molecular Formula: | C11H8ClNO3 |
Canonical SMILES: | COC(=O)C(=O)C1=CNC2=C1C(=CC=C2)Cl |
InChI: | InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)6-5-13-8-4-2-3-7(12)9(6)8/h2-5,13H,1H3 |
InChI Key: | LUFYODHNHSVJIV-UHFFFAOYSA-N |
LogP: | 2.17700 |
Publication Number | Title | Priority Date |
US-2003055097-A1 | Indazolyl-substituted pyrroline compounds as kinase inhibitors | 20001208 |
US-2004259928-A1 | Indazolyl-substituted pyrroline compounds as kinase inhibitors | 20001208 |
US-2005004202-A1 | Indazolyl-substituted pyrroline compounds as kinase inhibitors | 20001208 |
US-2008096949-A1 | Indazolyl-substituted pyrroline compounds as kinase inhibitors | 20001208 |
US-6849643-B2 | Indazolyl-substituted pyrroline compounds as kinase inhibitors | 20001208 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.0192708 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.0192708 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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