6,7-Difluorobenzoxazol-2(3H)-one - CAS 509147-86-8

Catalog:	BB027269
Product Name:	6,7-Difluorobenzoxazol-2(3H)-one
CAS:	509147-86-8
Synonyms:	6,7-difluoro-3H-1,3-benzoxazol-2-one; 6,7-difluoro-3H-1,3-benzoxazol-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6,7-difluoro-3H-1,3-benzoxazol-2-one
Description:	6,7-Difluorobenzoxazol-2(3H)-one (CAS# 509147-86-8 ) is a useful research chemical.
Molecular Weight:	171.10
Molecular Formula:	C7H3F2NO2
Canonical SMILES:	C1=CC(=C(C2=C1NC(=O)O2)F)F
InChI:	InChI=1S/C7H3F2NO2/c8-3-1-2-4-6(5(3)9)12-7(11)10-4/h1-2H,(H,10,11)
InChI Key:	GSXOQMNPQHDOIS-UHFFFAOYSA-N
LogP:	1.39930

Publication Number	Title	Priority Date
AU-2005250103-A1	Benzoxazolone derivatives, processes for preparing them and their uses	20040527
CA-2567909-A1	Benzoxazolone derivatives, processes for preparing them and their uses	20040527
EP-1756071-B1	Benzoxazolone derivatives, processes for preparing them and their uses	20040527
JP-2008500300-A	Benzoxazolone derivatives, methods for their preparation and uses thereof	20040527
JP-4914346-B2	Benzoxazolone derivatives, methods for their preparation and uses thereof	20040527

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Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.01318466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.01318466
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3