6-Fluoro-1,2-dihydroisoquinolin-1-one - CAS 214045-85-9

Catalog:	BB016819
Product Name:	6-Fluoro-1,2-dihydroisoquinolin-1-one
CAS:	214045-85-9
Synonyms:	6-fluoro-2H-isoquinolin-1-one; 6-fluoro-2H-isoquinolin-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-fluoro-2H-isoquinolin-1-one
Description:	6-Fluoro-1,2-dihydroisoquinolin-1-one (CAS# 214045-85-9) is a useful research chemical.
Molecular Weight:	163.15
Molecular Formula:	C9H6FNO
Canonical SMILES:	C1=CC2=C(C=CNC2=O)C=C1F
InChI:	InChI=1S/C9H6FNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
InChI Key:	VCCTUCDRIAEXLU-UHFFFAOYSA-N
Boiling Point:	392.615 °C at 760 mmHg
Density:	1.292 g/cm³
LogP:	1.66720

Publication Number	Title	Priority Date
WO-2020123674-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
TW-202035359-A	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
EP-3893645-A1	Substituted arylmethylureas and heteroarylmethylureas, analogues thereof, and methods using same	20181212
KR-20210102942-A	Substituted arylmethylureas and heteroarylmethylureas, analogs thereof, and methods of use thereof	20181212
JP-2017537107-A	1-oxo-1,2-dihydroisoquinolin-7-yl- (5-substituted-thiophen-2-yl) -sulfonamide compounds, formulations containing these compounds, their use as AICARFT inhibitors in cancer treatment	20141202

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.043341977
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.043341977
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4