4,5-Difluoro-1-indanone - CAS 628732-11-6

Catalog:	BB031859
Product Name:	4,5-Difluoro-1-indanone
CAS:	628732-11-6
Synonyms:	4,5-difluoro-2,3-dihydroinden-1-one; 4,5-difluoro-2,3-dihydroinden-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4,5-difluoro-2,3-dihydroinden-1-one
Description:	4,5-Difluoro-1-indanone (CAS# 628732-11-6) is a useful research chemical.
Molecular Weight:	168.14
Molecular Formula:	C9H6F2O
Canonical SMILES:	C1CC(=O)C2=C1C(=C(C=C2)F)F
InChI:	InChI=1S/C9H6F2O/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h1,3H,2,4H2
InChI Key:	FHKJIIXGCLYMCN-UHFFFAOYSA-N
Boiling Point:	259.7 °C at 760 mmHg
Density:	1.362 g/cm³
Appearance:	Light yellow crystal
MDL:	MFCD07772124
LogP:	2.09370

Publication Number	Title	Priority Date
WO-2020055858-A1	Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication	20180910
TW-202023566-A	Inhibitors of influenza virus replication	20180910
EP-3849978-A1	Pyridopyrazine and pyridotriazine inhibitors of influenza virus replication	20180910
AU-2013207205-A1	4,4-disubstituted-1,4-dihydropyrimidines and the use thereof as medicaments for the treatment of Hepatitis B	20120106
AU-2013207205-B2	4,4-disubstituted-1,4-dihydropyrimidines and the use thereof as medicaments for the treatment of Hepatitis B	20120106

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1383427-98-2]
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[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	168.03867113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	168.03867113
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9