1H-Imidazole-5-boronic Acid Pinacol Ester - CAS 1203671-64-0

Catalog:	BB004853
Product Name:	1H-Imidazole-5-boronic Acid Pinacol Ester
CAS:	1203671-64-0
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole

Technical Data

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Computed Properties

IUPAC Name:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
Description:	1H-Imidazole-5-boronic Acid Pinacol Ester (CAS# 1203671-64-0 ) is a useful research chemical.
Molecular Weight:	194.04
Molecular Formula:	C9H15N2O2B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CN=CN2
InChI:	InChI=1S/C9H15BN2O2/c1-8(2)9(3,4)14-10(13-8)7-5-11-6-12-7/h5-6H,1-4H3,(H,11,12)
InChI Key:	RPHOSVGTSZUHIK-UHFFFAOYSA-N
LogP:	0.70890

Publication Number	Title	Priority Date
CN-111712490-A	Amino-substituted pyridone derivatives, preparation method and medical application thereof	20181128
BR-112019019555-A2	compound of formula i, pharmaceutical composition, hpk1 inhibition method, method for improving an immune response, method for treating a disorder and use of the compound	20170330
EP-3601267-A1	2-methyl-quinazolines	20170321
WO-2018172250-A1	2-methyl-quinazolines	20170321
EP-2895488-A1	Tricyclic gyrase inhibitors for use as antibacterial agents	20120912

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Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.1226579
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.1226579
Rotatable Bond Count:	1
Topological Polar Surface Area:	47.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0