Methyl 2-(2-Chloro-4-fluorobenzylidene)-3-oxobutanoate - CAS 298709-35-0
Catalog: |
BB020357 |
Product Name: |
Methyl 2-(2-Chloro-4-fluorobenzylidene)-3-oxobutanoate |
CAS: |
298709-35-0 |
Synonyms: |
(2E)-2-[(2-chloro-4-fluorophenyl)methylidene]-3-oxobutanoic acid methyl ester; methyl (2E)-2-[(2-chloro-4-fluorophenyl)methylidene]-3-oxobutanoate |
IUPAC Name: | methyl (2E)-2-[(2-chloro-4-fluorophenyl)methylidene]-3-oxobutanoate |
Description: | Methyl 2-(2-Chloro-4-fluorobenzylidene)-3-oxobutanoate (CAS# 298709-35-0 ) is a useful research chemical. |
Molecular Weight: | 256.66 |
Molecular Formula: | C12H10ClFO3 |
Canonical SMILES: | CC(=O)C(=CC1=C(C=C(C=C1)F)Cl)C(=O)OC |
InChI: | InChI=1S/C12H10ClFO3/c1-7(15)10(12(16)17-2)5-8-3-4-9(14)6-11(8)13/h3-6H,1-2H3/b10-5+ |
InChI Key: | SOGUCWFOKBJAQO-BJMVGYQFSA-N |
LogP: | 2.62450 |
Publication Number | Title | Priority Date |
US-2010010013-A1 | Dihydropyrimidine compounds and their uses in manufacture of a medicament for treatment and prevention of viral diseases | 20070116 |
EP-1265889-A1 | Medicaments against viral diseases | 20000316 |
US-2003232842-A1 | Medicaments against viral diseases | 20000316 |
US-7074784-B2 | Medicaments against viral diseases | 20000316 |
WO-0168640-A1 | Medicaments against viral diseases | 20000316 |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 256.03025 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.03025 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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