3-Amino-5-fluorobenzo[d]isoxazole - CAS 868271-13-0

Name: 3-Amino-5-fluorobenzo[d]isoxazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038073
Product Name:	3-Amino-5-fluorobenzo[d]isoxazole
CAS:	868271-13-0
Synonyms:	5-fluoro-1,2-benzoxazol-3-amine; 5-fluoro-1,2-benzoxazol-3-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-fluoro-1,2-benzoxazol-3-amine
Description:	3-Amino-5-fluorobenzo[d]isoxazole (CAS# 868271-13-0) is a useful research chemical.
Molecular Weight:	152.13
Molecular Formula:	C7H5FN2O
Canonical SMILES:	C1=CC2=C(C=C1F)C(=NO2)N
InChI:	InChI=1S/C7H5FN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChI Key:	MBKJAWUGNSKUIU-UHFFFAOYSA-N
Boiling Point:	315 °C at 760 mmHg
Density:	1.434 g/cm³
LogP:	2.13030

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Publication Number	Title	Priority Date
EP-2334657-B1	Piperazine d3 and 5-ht2a receptor modulators	20080922
WO-2010031735-A1	Piperazine d3 and 5-ht2a receptor modulators	20080922
EP-1893589-A1	Substituted n-benzo [d] isoxazol-3-yl-amine derivatives as inhibitors of mglur5, serotonine (5-ht) and noradrenaline receptors, and the use thereof for producing medicaments	20050606
EP-1893589-B1	Substituted n-benzo [d] isoxazol-3-yl-amine derivatives as inhibitors of mglur5, serotonine (5-ht) and noradrenaline receptors, and the use thereof for producing medicaments	20050606
US-2008312301-A1	Substituted N-Benzo[D]Isoxazol-3-Yl-Amine Compounds as Inhibitors of Mglur5, Serotonin (5-Ht) and Noradrenaline Receptors, and Uses Thereof	20050606

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.03859095
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.03859095
Rotatable Bond Count:	0
Topological Polar Surface Area:	52
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5