3,4-Bis(trifluoromethyl)phenylboronic Acid - CAS 1204745-88-9

Catalog:	BB004883
Product Name:	3,4-Bis(trifluoromethyl)phenylboronic Acid
CAS:	1204745-88-9
Synonyms:	[3,4-bis(trifluoromethyl)phenyl]boronic acid; [3,4-bis(trifluoromethyl)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[3,4-bis(trifluoromethyl)phenyl]boronic acid
Description:	3,4-Bis(trifluoromethyl) Phenylboronic Acid acts as a reagent in the synthesis of novel multi-stage antimalarial inhibitors.
Molecular Weight:	257.93
Molecular Formula:	C8H5F6O2B
Canonical SMILES:	B(C1=CC(=C(C=C1)C(F)(F)F)C(F)(F)F)(O)O
InChI:	InChI=1S/C8H5BF6O2/c10-7(11,12)5-2-1-4(9(16)17)3-6(5)8(13,14)15/h1-3,16-17H
InChI Key:	GIZQTQOXIWPFOA-UHFFFAOYSA-N
MDL:	MFCD11617946
LogP:	1.40400

Publication Number	Title	Priority Date
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
KR-102076882-B1	Compound and organic light emitting device using the same	20160929
KR-20180035503-A	Compound and organic light emitting device using the same	20160929
JP-2016095965-A	Non-aqueous electrolyte, power storage device including the same, and power storage device including the power storage device	20141113
CA-2942845-A1	Pesticidally active heterocyclic derivatives with sulphur containing substituents	20140328

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Complexity:	264
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	258.0286785
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	258.0286785
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0