Ethyl 4-(2-Chlorophenyl)-2,4-dioxobutanoate - CAS 338982-35-7
Catalog: |
BB021887 |
Product Name: |
Ethyl 4-(2-Chlorophenyl)-2,4-dioxobutanoate |
CAS: |
338982-35-7 |
Synonyms: |
4-(2-chlorophenyl)-2,4-dioxobutanoic acid ethyl ester; ethyl 4-(2-chlorophenyl)-2,4-dioxobutanoate |
IUPAC Name: | ethyl 4-(2-chlorophenyl)-2,4-dioxobutanoate |
Description: | Ethyl 4-(2-Chlorophenyl)-2,4-dioxobutanoate (CAS# 338982-35-7) is a useful research chemical compound. |
Molecular Weight: | 254.67 |
Molecular Formula: | C12H11ClO4 |
Canonical SMILES: | CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1Cl |
InChI: | InChI=1S/C12H11ClO4/c1-2-17-12(16)11(15)7-10(14)8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3 |
InChI Key: | CYWSDZSLUSCKMG-UHFFFAOYSA-N |
MDL: | MFCD01935971 |
LogP: | 2.04500 |
Publication Number | Title | Priority Date |
WO-2013067302-A1 | Method of treatment | 20111104 |
US-2008153893-A1 | Pyrazole Carboxamides as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 | 20030807 |
US-7659408-B2 | Pyrazole carboxamides as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 | 20030807 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.0345865 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.0345865 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 60.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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