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11-bromo-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8,10,12-hexaene

11-bromo-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8,10,12-hexaene - CAS 1320211-47-9

Catalog:	BB007529
Product Name:	11-bromo-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8,10,12-hexaene
CAS:	1320211-47-9
Synonyms:	2-bromopyrimido[1,2-a]benzimidazole; 2-bromopyrimido[1,2-a]benzimidazole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromopyrimido[1,2-a]benzimidazole
Description:	11-bromo-1,8,10-triazatricyclo[7.4.0.0²,⁷]trideca-2(7),3,5,8,10,12-hexaene (CAS# 1320211-47-9 ) is a useful research chemical.
Molecular Weight:	248.083
Molecular Formula:	C10H6BrN3
Canonical SMILES:	C1=CC=C2C(=C1)N=C3N2C=CC(=N3)Br
InChI:	InChI=1S/C10H6BrN3/c11-9-5-6-14-8-4-2-1-3-7(8)12-10(14)13-9/h1-6H
InChI Key:	BNCWJNBNSQMDGY-UHFFFAOYSA-N
LogP:	2.64500

Publication Number	Title	Priority Date
WO-2021011913-A1	Tau-protein targeting compounds and associated methods of use	20190717
CA-3042260-A1	Tau-protein targeting protacs and associated methods of use	20161101
EP-3535265-A2	Tau-protein targeting protacs and associated methods of use	20161101
JP-2019532995-A	Tau protein targeted PROTAC and related methods of use	20161101
KR-20190067923-A	Tau-protein targeting PROTAC and related uses	20161101

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Complexity:	223
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.97451
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	30.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6