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1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid

1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid - CAS 1138450-30-2

Catalog:	BB003274
Product Name:	1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid
CAS:	1138450-30-2
Synonyms:	[1-methyl-3-(trifluoromethyl)-4-pyrazolyl]boronic acid; [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid

Technical Data

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Computed Properties

IUPAC Name:	[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]boronic acid
Description:	1-Methyl-3-(trifluoromethyl)-4-pyrazoleboronic Acid (CAS# 1138450-30-2) is a useful research chemical.
Molecular Weight:	193.92
Molecular Formula:	C5H6F3N2O2B
Canonical SMILES:	B(C1=CN(N=C1C(F)(F)F)C)(O)O
InChI:	InChI=1S/C5H6BF3N2O2/c1-11-2-3(6(12)13)4(10-11)5(7,8)9/h2,12-13H,1H3
InChI Key:	CVTMJOHFLLGAIA-UHFFFAOYSA-N
LogP:	-0.88130

Publication Number	Title	Priority Date
US-2020290998-A1	Novel imidazole-pyrazole derivatives	20190308
WO-2020182648-A1	Novel imidazole-pyrazole derivatives	20190308
TW-202100522-A	Novel imidazole-pyrazole derivatives	20190308
WO-2019244049-A1	Cyanotriazole compounds and uses thereof	20180619
AU-2019291490-A1	Cyanotriazole compounds and uses thereof	20180619

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Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.0474421
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	194.0474421
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0