1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester - CAS 1007206-54-3

Name: 1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB000311
Product Name:	1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester
CAS:	1007206-54-3
Synonyms:	6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole; 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole

Technical Data

IUPAC Name:	6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
Description:	1H-Benzo[d]imidazole-5-boronic Acid Pinacol Ester (CAS# 1007206-54-3) is a useful research chemical.
Molecular Weight:	244.10
Molecular Formula:	C13H17N2O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CN3
InChI:	InChI=1S/C13H17BN2O2/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,(H,15,16)
InChI Key:	HCWNKNYTHLBIHX-UHFFFAOYSA-N
Boiling Point:	495.2±51.0 °C at 760 mmHg
Melting Point:	202-206 °C
Flash Point:	Not applicable
Purity:	97 %
Density:	1.2±0.1 g/cm³
Appearance:	Solid
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.86210

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Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.138308
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.138308
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0