Benzoxazole-6-boronic Acid Pinacol Ester - CAS 1810038-58-4

Catalog:	BB013780
Product Name:	Benzoxazole-6-boronic Acid Pinacol Ester
CAS:	1810038-58-4
Synonyms:	6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
Description:	Benzoxazole-6-boronic Acid Pinacol Ester (CAS# 1810038-58-4 ) is a useful research chemical.
Molecular Weight:	245.08
Molecular Formula:	C13H16NO3B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CO3
InChI:	InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-5-6-10-11(7-9)16-8-15-10/h5-8H,1-4H3
InChI Key:	GFKZCRRRPMENIV-UHFFFAOYSA-N
LogP:	2.12700

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Related Functional Groups

Boronic Acids and Esters

[1022092-33-6]
1-(2-Cyanoethyl)-1H-pyrazole-4-boronic Acid Pinacol Ester
[1256355-43-7]
2-(Methoxycarbonyl)-4-methylphenylboronic Acid
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
[10365-98-7]
3-Methoxybenzeneboronic Acid
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester

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:	318
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.1223235
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.1223235
Rotatable Bond Count:	1
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0