3-(2,2,2-Trifluoroacetyl)phenylboronic Acid Pinacol Ester - CAS 631909-42-7

Name: 3-(2,2,2-Trifluoroacetyl)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB032045
Product Name:	3-(2,2,2-Trifluoroacetyl)phenylboronic Acid Pinacol Ester
CAS:	631909-42-7
Synonyms:	2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone; 2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone

Technical Data

IUPAC Name:	2,2,2-trifluoro-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone
Description:	3-(2,2,2-Trifluoroacetyl)phenylboronic Acid Pinacol Ester (CAS# 631909-42-7) is a useful research chemical.
Molecular Weight:	300.08
Molecular Formula:	C14H16F3O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)C(F)(F)F
InChI:	InChI=1S/C14H16BF3O3/c1-12(2)13(3,4)21-15(20-12)10-7-5-6-9(8-10)11(19)14(16,17)18/h5-8H,1-4H3
InChI Key:	SSSNNFUDRJNVLI-UHFFFAOYSA-N
MDL:	MFCD18915048
LogP:	2.73080

Publication Number	Title	Priority Date
WO-2021093817-A1	Immunomodulatory compounds, composition and application thereof	20191115
US-2008019915-A1	Modulators of ATP-binding cassette transporters	20051108
US-2010087435-A1	Modulators of atp-binding cassette transporters	20051108
US-2011172229-A1	Modulators of atp-binding cassette transporters	20051108
US-2012232059-A1	Modulators of ATP-Binding Cassette Transporters	20051108

Complexity:	404
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	300.114459
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	300.114459
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0