4,4,4-Trifluoro-1-(2-methoxyphenyl)butane-1,3-dione - CAS 15191-69-2
Catalog: |
BB047069 |
Product Name: |
4,4,4-Trifluoro-1-(2-methoxyphenyl)butane-1,3-dione |
CAS: |
15191-69-2 |
Synonyms: |
1,3-Butanedione, 4,4,4-trifluoro-1-(2-methoxyphenyl)-; 1-(2-Methoxybenzoyl)-3,3,3-trifluoroacetone |
IUPAC Name: | 4,4,4-trifluoro-1-(2-methoxyphenyl)butane-1,3-dione |
Description: | 4,4,4-Trifluoro-1-(2-methoxyphenyl)butane-1,3-dione (CAS# 15191-69-2 ) is a useful research chemical. |
Molecular Weight: | 246.18 |
Molecular Formula: | C11H9F3O3 |
Canonical SMILES: | COC1=CC=CC=C1C(=O)CC(=O)C(F)(F)F |
InChI: | InChI=1S/C11H9F3O3/c1-17-9-5-3-2-4-7(9)8(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3 |
InChI Key: | MEKQEULAECFIOH-UHFFFAOYSA-N |
Boiling Point: | 285.6±35.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.05037863 |
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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