Methyl 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoate - CAS 175711-73-6
Catalog: |
BB013159 |
Product Name: |
Methyl 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoate |
CAS: |
175711-73-6 |
Synonyms: |
4-(2,4-dichlorophenyl)-2,4-dioxobutanoic acid methyl ester; methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate |
IUPAC Name: | methyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate |
Description: | Methyl 4-(2,4-Dichlorophenyl)-2,4-dioxobutanoate (CAS# 175711-73-6) is a useful research chemical. |
Molecular Weight: | 275.08 |
Molecular Formula: | C11H8Cl2O4 |
Canonical SMILES: | COC(=O)C(=O)CC(=O)C1=C(C=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C11H8Cl2O4/c1-17-11(16)10(15)5-9(14)7-3-2-6(12)4-8(7)13/h2-4H,5H2,1H3 |
InChI Key: | AANFKOMMZYTNJZ-UHFFFAOYSA-N |
Boiling Point: | 386.2 °C at 760 mmHg |
Density: | 1.41 g/cm3 |
Appearance: | Solid |
MDL: | MFCD04967382 |
LogP: | 2.30830 |
Publication Number | Title | Priority Date |
US-2010113477-A1 | Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof | 20081020 |
US-2014171444-A1 | Inhibitors of Mycobacterium Tuberculosis Malate Synthase, Methods of Making and Uses Thereof | 20081020 |
US-8664255-B2 | Inhibitors of mycobacterium tuberculosis malate synthase, methods of making and uses thereof | 20081020 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.9799641 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.9799641 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 60.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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