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2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester

2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester - CAS 1029439-85-7

Catalog:	BB000973
Product Name:	2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester
CAS:	1029439-85-7
Synonyms:	2,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 2,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

Technical Data

Patents

Computed Properties

IUPAC Name:	2,3-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
Description:	2,3-Difluoro-4-hydroxyphenylboronic Acid Pinacol Ester (CAS# 1029439-85-7) is a useful research chemical.
Molecular Weight:	256.05
Molecular Formula:	C12H15F2O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)O)F)F
InChI:	InChI=1S/C12H15BF2O3/c1-11(2)12(3,4)18-13(17-11)7-5-6-8(16)10(15)9(7)14/h5-6,16H,1-4H3
InChI Key:	JNBBZUYJDRTJCN-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2020142612-A1	Pyrido-pyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme i (ire i alpha) for the treatment of cancer diseases.	20190103
TW-202039466-A	Pyrido-pyrimidinone and pteridinone compounds and methods of use	20190103
CN-113508115-A	Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases	20190103
CN-113164771-A	Imidazopyrazine derivatives as antibacterial agents	20181217
CN-113195496-A	Imidazopyrazine derivatives as antibacterial agents	20181217

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Related Functional Groups

Boronic Acids and Esters

[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[881302-73-4]
3,5-Dicarboxyphenylboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
[850623-36-8]
Potassium (4-Cyanophenyl)trifluoroborate
[2247367-07-1]
4,4,4',4',5,5,5',5'-octaethyl-2,2'-bi(1,3,2-dioxaborolane)
[1646563-27-0]
Methyl 2-(2-((3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)phenyl)acetate

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.1082308
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	256.1082308
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0