6-Bromo-2-chloro-8-fluoroquinazoline - CAS 953039-25-3

Catalog:	BB041677
Product Name:	6-Bromo-2-chloro-8-fluoroquinazoline
CAS:	953039-25-3
Synonyms:	6-bromo-2-chloro-8-fluoroquinazoline; 6-bromo-2-chloro-8-fluoroquinazoline

Technical Data

Patents

Computed Properties

IUPAC Name:	6-bromo-2-chloro-8-fluoroquinazoline
Description:	6-Bromo-2-chloro-8-fluoroquinazoline (CAS# 953039-25-3 ) is a useful research chemical.
Molecular Weight:	261.48
Molecular Formula:	C8H3BrClFN2
Canonical SMILES:	C1=C(C=C2C=NC(=NC2=C1F)Cl)Br
InChI:	InChI=1S/C8H3BrClFN2/c9-5-1-4-3-12-8(10)13-7(4)6(11)2-5/h1-3H
InChI Key:	YPMCSAKKXIILEY-UHFFFAOYSA-N
LogP:	3.18480

Publication Number	Title	Priority Date
WO-2020232401-A1	Combination therapies with ire1 small molecule inhibitors	20190515
WO-2020232403-A1	Treatment of fibrosis with ire1 small molecule inhibitors	20190515
CA-3082363-A1	Ire1 small molecule inhibitors	20171110
US-2019169160-A1	Ire1 small molecule inhibitors	20171110
WO-2019094641-A1	Ire1 small molecule inhibitors	20171110

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Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.91522
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.91522
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3