6-(Trifluoromethyl)indazole - CAS 954239-22-6

Catalog:	BB041716
Product Name:	6-(Trifluoromethyl)indazole
CAS:	954239-22-6
Synonyms:	6-(trifluoromethyl)-1H-indazole; 6-(trifluoromethyl)-1H-indazole

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Computed Properties

IUPAC Name:	6-(trifluoromethyl)-1H-indazole
Description:	6-(Trifluoromethyl)indazole (CAS# 954239-22-6) is a useful research chemical.
Molecular Weight:	186.13
Molecular Formula:	C8H5F3N2
Canonical SMILES:	C1=CC2=C(C=C1C(F)(F)F)NN=C2
InChI:	InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5-4-12-13-7(5)3-6/h1-4H,(H,12,13)
InChI Key:	PFAFARJWFBPNIN-UHFFFAOYSA-N
MDL:	MFCD08690097
LogP:	2.58170

Publication Number	Title	Priority Date
US-2020399241-A1	3-arylindazoles as selective mek4 inhibitors	20190624
WO-2020165062-A1	Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer	20190211
CN-113474334-A	Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer	20190211
EP-3555060-A1	Pesticidally active heterocyclic derivatives with sulphur containing substituents	20161219
US-10667518-B2	Pesticidally active heterocyclic derivatives with sulphur containing substituents	20161219

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Related Functional Groups

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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

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.04048265
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	186.04048265
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7