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2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 625458-85-7

Catalog:	BB055164
Product Name:	2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	625458-85-7
Synonyms:	2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Butylphenylboronic acid pinacol ester; 1,3,2-Dioxaborolane, 2-(4-butylphenyl)-4,4,5,5-tetramethyl-

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Computed Properties

IUPAC Name:	2-(4-butylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Molecular Weight:	260.18
Molecular Formula:	C16H25BO2
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CCCC
InChI:	InChI=1S/C16H25BO2/c1-6-7-8-13-9-11-14(12-10-13)17-18-15(2,3)16(4,5)19-17/h9-12H,6-8H2,1-5H3
InChI Key:	CUOOVGGNLPMDIC-UHFFFAOYSA-N

Publication Number	Title	Priority Date
JP-2022518230-A	Antibacterial compounds and methods	20190116
CA-2921082-A1	Linear peptide antibiotics	20130814
EP-3033352-A1	Linear peptide antibiotics	20130814
JP-2016528257-A	Linear peptide antibiotics	20130814
KR-20160044512-A	Linear peptide antibiotics	20130814
US-2016194358-A1	Linear peptide antibiotcs	20130814
WO-2015023898-A1	Linear peptide antibiotcs	20130814
CN-104903302-A	Macrocyclic broad spectrum antibiotics	20121121
JP-2016501864-A	Macrocyclic antibiotics	20121121
JP-2018184435-A	Macrocyclic wide-area antibiotics	20121121

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501
Signal Word:	Warning

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.1947602
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	260.1947602
Rotatable Bond Count:	4
Topological Polar Surface Area:	18.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0