4-Bromo-6-(trifluoromethyl)-1H-indazole - CAS 1000342-95-9

Catalog:	BB000023
Product Name:	4-Bromo-6-(trifluoromethyl)-1H-indazole
CAS:	1000342-95-9
Synonyms:	4-bromo-6-(trifluoromethyl)-1H-indazole; 4-bromo-6-(trifluoromethyl)-1H-indazole

Technical Data

Patents

Computed Properties

IUPAC Name:	4-bromo-6-(trifluoromethyl)-1H-indazole
Description:	4-Bromo-6-(trifluoromethyl)-1H-indazole (CAS# 1000342-95-9) is a useful research chemical.
Molecular Weight:	265.03
Molecular Formula:	C8H4BrF3N2
Canonical SMILES:	C1=C(C=C(C2=C1NN=C2)Br)C(F)(F)F
InChI:	InChI=1S/C8H4BrF3N2/c9-6-1-4(8(10,11)12)2-7-5(6)3-13-14-7/h1-3H,(H,13,14)
InChI Key:	JRUCLQINUHVRJW-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, Room Temperature
LogP:	3.34420

Publication Number	Title	Priority Date
AU-2018351559-A1	Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof	20171019
CA-3079478-A1	Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof	20171019
WO-2019076358-A1	HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THE HETEROCYCLIC COMPOUND, AND METHODS OF USE THEREOF	20171019
EP-3697791-A1	Heterocyclic compounds, compositions comprising heterocyclic compound, and methods of use thereof	20171019
KR-20200074971-A	Heterocyclic compounds, compositions comprising heterocyclic compounds and methods of use thereof	20171019

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Complexity:	221
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.951
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	263.951
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1