4-(1-Hydroxycyclobutyl)phenylboronic Acid Pinacol Ester - CAS 1398331-98-0

Name: 4-(1-Hydroxycyclobutyl)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB008984
Product Name:	4-(1-Hydroxycyclobutyl)phenylboronic Acid Pinacol Ester
CAS:	1398331-98-0
Synonyms:	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-cyclobutanol; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-ol

Technical Data

IUPAC Name:	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutan-1-ol
Description:	4-(1-Hydroxycyclobutyl)phenylboronic Acid Pinacol Ester (CAS# 1398331-98-0) is a useful research chemical.
Molecular Weight:	274.16
Molecular Formula:	C16H23O3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CCC3)O
InChI:	InChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-8-6-12(7-9-13)16(18)10-5-11-16/h6-9,18H,5,10-11H2,1-4H3
InChI Key:	ADJDMTWSQDLRRP-UHFFFAOYSA-N
LogP:	2.35730

Publication Number	Title	Priority Date
WO-2020106560-A1	Substituted amino triazolopyrimidine and amino triazolopyrazine adenosine receptor antagonists, pharmaceutical compositions and their use	20181120
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US-2016333021-A1	Metallo-beta-lactamase inhibitors	20140122
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US-2014315883-A1	6H-IMIDAZO[1,5-a]PYRROLO[2,3-e]PYRAZINE COMPOUNDS	20130419

Complexity:	352
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	274.1740248
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	274.1740248
Rotatable Bond Count:	2
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0