Ethyl 2-(4,7-Dichloro-3-indolyl)-2-oxoacetate - CAS 2097800-55-8
Catalog: |
BB016502 |
Product Name: |
Ethyl 2-(4,7-Dichloro-3-indolyl)-2-oxoacetate |
CAS: |
2097800-55-8 |
Synonyms: |
2-(4,7-dichloro-1H-indol-3-yl)-2-oxoacetic acid ethyl ester; ethyl 2-(4,7-dichloro-1H-indol-3-yl)-2-oxoacetate |
IUPAC Name: | ethyl 2-(4,7-dichloro-1H-indol-3-yl)-2-oxoacetate |
Description: | Ethyl 2-(4,7-Dichloro-3-indolyl)-2-oxoacetate (CAS# 2097800-55-8 ) is a useful research chemical. |
Molecular Weight: | 286.11 |
Molecular Formula: | C12H9Cl2NO3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CNC2=C(C=CC(=C12)Cl)Cl |
InChI: | InChI=1S/C12H9Cl2NO3/c1-2-18-12(17)11(16)6-5-15-10-8(14)4-3-7(13)9(6)10/h3-5,15H,2H2,1H3 |
InChI Key: | IAXQTPSAGHKFOL-UHFFFAOYSA-N |
Complexity: | 350 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 284.9959485 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.9959485 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 59.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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