2-(1-Trityl-5-tetrazolyl)phenylboronic Acid - CAS 144873-97-2

Catalog:	BB009845
Product Name:	2-(1-Trityl-5-tetrazolyl)phenylboronic Acid
CAS:	144873-97-2
Synonyms:	[2-[1-(triphenylmethyl)-5-tetrazolyl]phenyl]boronic acid; [2-(1-trityltetrazol-5-yl)phenyl]boronic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	[2-(1-trityltetrazol-5-yl)phenyl]boronic acid
Description:	2-(1-Trityl-5-tetrazolyl)phenylboronic Acid (CAS# 144873-97-2 ) is a useful research chemical.
Molecular Weight:	432.28
Molecular Formula:	C26H21N4O2B
Canonical SMILES:	B(C1=CC=CC=C1C2=NN=NN2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(O)O
InChI:	InChI=1S/C26H21BN4O2/c32-27(33)24-19-11-10-18-23(24)25-28-29-30-31(25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,32-33H
InChI Key:	LCOAZIDDOCSTQX-UHFFFAOYSA-N
LogP:	2.86010

Publication Number	Title	Priority Date
WO-2020023355-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
WO-2020023356-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
US-2021299126-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
CN-103965167-A	Imidazole carboxylic acid derivative	20130129
EP-2526095-A1	Dual-acting thiophene, pyrrole, thiazole and furan antihypertensive agents	20100119

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Complexity:	560
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	432.1757561000001
Formal Charge:	0
Heavy Atom Count:	33
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	432.1757561000001
Rotatable Bond Count:	6
Topological Polar Surface Area:	84.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0