2,2,2-Trifluoro-4'-methoxyacetophenone - CAS 711-38-6
Catalog: |
BB034317 |
Product Name: |
2,2,2-Trifluoro-4'-methoxyacetophenone |
CAS: |
711-38-6 |
Synonyms: |
4'-Methoxy-2,2,2-trifluoroacetophenone; 2,2,2-trifluoro-1-(4-methoxyphenyl)ethan-1-one |
IUPAC Name: | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone |
Description: | 2,2,2-Trifluoro-1-(4-methoxy-phenyl)-ethanone is a product for proteomics research. |
Molecular Weight: | 204.15 |
Molecular Formula: | C9H7F3O2 |
Canonical SMILES: | COC1=CC=C(C=C1)C(=O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5H,1H3 |
InChI Key: | NCJZVRPXSSYDBG-UHFFFAOYSA-N |
Boiling Point: | 237.3 °C at 760 mmHg 64 °C / 0.5 mmHg |
Purity: | 95% |
Density: | 1.265 g/cm3 |
MDL: | MFCD00018061 |
LogP: | 2.44020 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020252407-A1 | Acetyl-coa synthetase 2 (acss2) inhibitors and methods using same | 20190612 |
JP-2020200265-A | Method for producing 1-halo-2-fluoroethylene | 20190610 |
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PMID | Publication Date | Title | Journal |
14604674 | 20031117 | Use of classical and 3-D QSAR to examine the hydration state of juvenile hormone esterase inhibitors | Bioorganic & medicinal chemistry |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.03981395 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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