6-Bromo-5-fluorobenzotriazole - CAS 1242336-69-1

Catalog:	BB005840
Product Name:	6-Bromo-5-fluorobenzotriazole
CAS:	1242336-69-1
Synonyms:	5-bromo-6-fluoro-2H-benzotriazole; 5-bromo-6-fluoro-2H-benzotriazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-6-fluoro-2H-benzotriazole
Description:	6-Bromo-5-fluorobenzotriazole (CAS# 1242336-69-1) is a useful research chemical.
Molecular Weight:	216.01
Molecular Formula:	C6H3BrFN3
Canonical SMILES:	C1=C(C(=CC2=NNN=C21)Br)F
InChI:	InChI=1S/C6H3BrFN3/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H,(H,9,10,11)
InChI Key:	NUEVTPILLAGWMY-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
LogP:	1.85950

Publication Number	Title	Priority Date
AU-2013322838-A1	New bicyclic derivatives	20120925
CA-2878442-A1	Hexahydropyrrolo(3,4-c]pyrrole derivatives and related compounds as autotaxin (atx) inhibitors and as inhibitors of the lysophosphatidic acid (lpa) production for treating e.g. renal diseases	20120925
EP-2900669-A1	New bicyclic derivatives	20120925
EP-2900669-B1	Hexahydropyrrolo[3,4-c]pyrrole derivatives and related compounds as autotaxin (atx) inhibitors and as inhibitors of the lysophosphatidic acid (lpa) production for treating e.g. renal diseases	20120925
EP-3590940-A1	Hexahydropyrrolo[3,4-c]pyrrole derivatives and related compounds as autotaxin (atx) inhibitors and as inhibitors of the lysophosphatidic acid (lpa) production for treating e.g. renal diseases	20120925

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Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.94944
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.94944
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8