3-Methylisoxazole-4-boronic Acid Pinacol Ester - CAS 1421846-79-8

Name: 3-Methylisoxazole-4-boronic Acid Pinacol Ester
Brand: BOC Sciences
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Catalog:	BB009322
Product Name:	3-Methylisoxazole-4-boronic Acid Pinacol Ester
CAS:	1421846-79-8
Synonyms:	3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoxazole; 3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazole
Description:	3-Methylisoxazole-4-boronic Acid Pinacol Ester (CAS# 1421846-79-8) is a useful research chemical.
Molecular Weight:	209.05
Molecular Formula:	C10H16NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CON=C2C
InChI:	InChI=1S/C10H16BNO3/c1-7-8(6-13-12-7)11-14-9(2,3)10(4,5)15-11/h6H,1-5H3
InChI Key:	ZHXDQNNFDJRLCZ-UHFFFAOYSA-N
LogP:	1.28220

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Related Functional Groups

Boronic Acids and Esters

[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[766549-26-2]C6H6ClO3B
2-Chloro-4-hydroxyphenylboronic Acid
[380430-53-5]C9H11O4B
2-Ethoxycarbonylphenylboronic Acid
[163105-90-6]C6H8NO3B
2-Methoxy-3-pyridylboronic Acid
[881302-73-4]C8H7O6B
3,5-Dicarboxyphenylboronic Acid
[10365-98-7]C7H9BO3
3-Methoxybenzeneboronic Acid

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Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.1223235
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.1223235
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0