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3'-Chloro-4'-(trifluoromethoxy)acetophenone

3'-Chloro-4'-(trifluoromethoxy)acetophenone - CAS 129604-27-9

Catalog:	BB007003
Product Name:	3'-Chloro-4'-(trifluoromethoxy)acetophenone
CAS:	129604-27-9
Synonyms:	1-[3-chloro-4-(trifluoromethoxy)phenyl]ethanone; 1-[3-chloro-4-(trifluoromethoxy)phenyl]ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-[3-chloro-4-(trifluoromethoxy)phenyl]ethanone
Description:	3'-Chloro-4'-(trifluoromethoxy)acetophenone (CAS# 129604-27-9) is a useful research chemical.
Molecular Weight:	238.59
Molecular Formula:	C9H6ClF3O2
Canonical SMILES:	CC(=O)C1=CC(=C(C=C1)OC(F)(F)F)Cl
InChI:	InChI=1S/C9H6ClF3O2/c1-5(14)6-2-3-8(7(10)4-6)15-9(11,12)13/h2-4H,1H3
InChI Key:	BUSQQCHYIYPNTO-UHFFFAOYSA-N
Boiling Point:	260.9 °C at 760 mmHg
Density:	1.376 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	3.44120

Publication Number	Title	Priority Date
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
US-2021171474-A1	Glycolate oxidase inhibitors for the treatment of disease	20171229
US-10562897-B2	Substituted 3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-diones as gamma secretase modulators	20140116
US-2018319797-A1	Novel substituted pyrido-piperazinone derivatives as gamma secretase modulators	20140116
AU-2014206834-A1	Novel substituted pyrido-piperazinone derivatives as gamma secretase modulators	20130117

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
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[253429-30-0]
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[108397-75-7]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	238.0008416
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	238.0008416
Rotatable Bond Count:	2
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6