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
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BB034317
100 g
$699
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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
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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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