2-Acetyl-4-(trifluoromethyl)phenol - CAS 67589-15-5

Catalog:	BB054866
Product Name:	2-Acetyl-4-(trifluoromethyl)phenol
CAS:	67589-15-5
Synonyms:	1-(2-Hydroxy-5-(trifluoromethyl)phenyl)ethanone; 1-(2-HYDROXY-5-TRIFLUOROMETHYL-PHENYL)-ETHANONE; 1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethanone; 1-(2-hydroxy-5-(trifluoromethyl)phenyl)ethan-1-one; 1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethan-1-one; 2'-Hydroxy-5'-(trifluoromethyl)acetophenone

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Computed Properties

IUPAC Name:	1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
Molecular Weight:	204.15
Molecular Formula:	C9H7F3O2
Canonical SMILES:	CC(=O)C1=C(C=CC(=C1)C(F)(F)F)O
InChI:	InChI=1S/C9H7F3O2/c1-5(13)7-4-6(9(10,11)12)2-3-8(7)14/h2-4,14H,1H3
InChI Key:	BRSHLOIZDJDEPI-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020132603-A2	Salicyl-adenosinemonosulfamate analogs and uses thereof	20181221
BR-102013030049-A2	application of chalcones as antioxidant reagent in biodiesel	20131122
CA-2804173-A1	Sulfonamide nav1.7 inhibitors	20100709
CA-2804173-C	Sulfonamide nav1.7 inhibitors	20100709
EP-2590972-A2	Chemical compounds	20100709
EP-2590972-B1	N-sulfonylbenzamides as inhibitors of voltage-gated sodium channels	20100709
ES-2532356-T3	N-sulfonylbenzamides as voltage dependent sodium channel inhibitors	20100709
JP-2013531028-A	Chemical compound	20100709
JP-5872552-B2	Chemical compound	20100709
US-2013109667-A1	Chemical Compounds	20100709

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	225
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.03981395
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7