4-(1-Carboxycyclopropyl)phenylboronic Acid Pinacol Ester - CAS 1218790-98-7

Name: 4-(1-Carboxycyclopropyl)phenylboronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB005282
Product Name:	4-(1-Carboxycyclopropyl)phenylboronic Acid Pinacol Ester
CAS:	1218790-98-7
Synonyms:	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-cyclopropanecarboxylic acid; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid

Technical Data

IUPAC Name:	1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid
Description:	4-(1-Carboxycyclopropyl)phenylboronic Acid Pinacol Ester (CAS# 1218790-98-7) is a useful research chemical.
Molecular Weight:	288.15
Molecular Formula:	C16H21O4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C(=O)O
InChI:	InChI=1S/C16H21BO4/c1-14(2)15(3,4)21-17(20-14)12-7-5-11(6-8-12)16(9-10-16)13(18)19/h5-8H,9-10H2,1-4H3,(H,18,19)
InChI Key:	YZWDIFNCAKRQCL-UHFFFAOYSA-N
LogP:	2.10200

Publication Number	Title	Priority Date
CA-3046894-A1	Heterocyclic compounds useful in the treatment of disease	20180618
JP-2014231508-A	Halogen-substituted heterocyclic compounds	20130502
AU-2014232383-A1	Heterocyclic compounds useful in the treatment of disease	20130315
AU-2014232383-B2	Heterocyclic compounds useful in the treatment of disease	20130315
AU-2019202731-A1	Heterocyclic compounds useful in the treatment of disease	20130315

Complexity:	418
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.1532893
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	288.1532893
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0