4-(2,2,2-Trifluoroethoxy)phenylboronic Acid Pinacol Ester - CAS 886528-42-3

Name: 4-(2,2,2-Trifluoroethoxy)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039128
Product Name:	4-(2,2,2-Trifluoroethoxy)phenylboronic Acid Pinacol Ester
CAS:	886528-42-3
Synonyms:	4,4,5,5-tetramethyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,2-dioxaborolane

Technical Data

IUPAC Name:	4,4,5,5-tetramethyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3,2-dioxaborolane
Description:	4-(2,2,2-Trifluoroethoxy)phenylboronic Acid Pinacol Ester (CAS# 886528-42-3) is a useful research chemical.
Molecular Weight:	302.10
Molecular Formula:	C14H18F3O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC(F)(F)F
InChI:	InChI=1S/C14H18BF3O3/c1-12(2)13(3,4)21-15(20-12)10-5-7-11(8-6-10)19-9-14(16,17)18/h5-8H,9H2,1-4H3
InChI Key:	FMASTXATFLPSON-UHFFFAOYSA-N
MDL:	MFCD22418017
LogP:	2.92690

Publication Number	Title	Priority Date
US-2021171529-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
US-2021188874-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
US-2021221824-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
WO-2021108404-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
CN-106946775-B	Compound and application thereof in preparation of anti-hepatitis C virus medicine	20160107

Complexity:	347
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.1301091
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	302.1301091
Rotatable Bond Count:	3
Topological Polar Surface Area:	27.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0