Benzoxazole-5-boronic Acid Pinacol Ester - CAS 936902-12-4

Name: Benzoxazole-5-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041023
Product Name:	Benzoxazole-5-boronic Acid Pinacol Ester
CAS:	936902-12-4
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole

Technical Data

IUPAC Name:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
Description:	Benzoxazole-5-boronic Acid Pinacol Ester (CAS# 936902-12-4) 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)OC=N3
InChI:	InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)9-5-6-11-10(7-9)15-8-16-11/h5-8H,1-4H3
InChI Key:	CHLWHHUKKHNQTH-UHFFFAOYSA-N
Melting Point:	88-93 °C
Flash Point:	Not applicable
Purity:	97 %
Storage:	2-8 °C
LogP:	2.12700

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

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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