4-Boc-phenylboronic Acid - CAS 850568-54-6

Catalog:	BB037438
Product Name:	4-Boc-phenylboronic Acid
CAS:	850568-54-6
Synonyms:	[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]boronic acid; [4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid

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Computed Properties

IUPAC Name:	[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
Description:	4-Boc-phenylboronic Acid (CAS# 850568-54-6) is a useful research chemical.
Molecular Weight:	222.05
Molecular Formula:	C11H15O4B
Canonical SMILES:	B(C1=CC=C(C=C1)C(=O)OC(C)(C)C)(O)O
InChI:	InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-4-6-9(7-5-8)12(14)15/h4-7,14-15H,1-3H3
InChI Key:	QMVMDYSTJSUDKC-UHFFFAOYSA-N
Boiling Point:	364.3 °C at 760 mmHg
Density:	1.15 g/cm³
MDL:	MFCD03411946
LogP:	0.32170

Publication Number	Title	Priority Date
CN-113512203-A	Preparation method of chiral photosensitive metal organic framework material	20210706
CN-113004159-A	Application of organic amine cation with hole transport performance in perovskite solar cell	20210219
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
US-2020353105-A1	Macrocyclic Chelators and Methods of Use Thereof	20190510
WO-2020229974-A1	Macrocyclic chelators and methods of use thereof	20190510

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.1063391
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	222.1063391
Rotatable Bond Count:	4
Topological Polar Surface Area:	66.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0