4-(tert-Butyl)-3-nitrophenylboronic Acid - CAS 871329-54-3

Catalog:	BB038285
Product Name:	4-(tert-Butyl)-3-nitrophenylboronic Acid
CAS:	871329-54-3
Synonyms:	(4-tert-butyl-3-nitrophenyl)boronic acid; (4-tert-butyl-3-nitrophenyl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(4-tert-butyl-3-nitrophenyl)boronic acid
Description:	4-(tert-Butyl)-3-nitrophenylboronic Acid (CAS# 871329-54-3) is a useful research chemical.
Molecular Weight:	223.03
Molecular Formula:	C10H14NO4B
Canonical SMILES:	B(C1=CC(=C(C=C1)C(C)(C)C)[N+](=O)[O-])(O)O
InChI:	InChI=1S/C10H14BNO4/c1-10(2,3)8-5-4-7(11(13)14)6-9(8)12(15)16/h4-6,13-14H,1-3H3
InChI Key:	JDDLCTBTDFIGGM-UHFFFAOYSA-N
Boiling Point:	375.3 °C at 760 mmHg
Density:	1.2 g/cm³
MDL:	MFCD07363743
LogP:	1.09530

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
JP-WO2009096198-A1	New biaryl derivatives	20080201
WO-2009096198-A1	Novel biaryl derivative	20080201

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Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.1015881
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	223.1015881
Rotatable Bond Count:	2
Topological Polar Surface Area:	86.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0