5-Fluoro-4-chromanone - CAS 188826-32-6

Catalog:	BB014558
Product Name:	5-Fluoro-4-chromanone
CAS:	188826-32-6
Synonyms:	5-fluoro-3,4-dihydro-2H-1-benzopyran-4-one; 5-fluoro-2,3-dihydrochromen-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	5-fluoro-2,3-dihydrochromen-4-one
Description:	5-Fluoro-4-chromanone (CAS# 188826-32-6) is a useful research chemical.
Molecular Weight:	166.15
Molecular Formula:	C9H7FO2
Canonical SMILES:	C1COC2=C(C1=O)C(=CC=C2)F
InChI:	InChI=1S/C9H7FO2/c10-6-2-1-3-8-9(6)7(11)4-5-12-8/h1-3H,4-5H2
InChI Key:	AVJVYZBPSAQLLA-UHFFFAOYSA-N
Boiling Point:	279.991 °C at 760 mmHg
Density:	1.298 g/cm³
LogP:	1.79090

Publication Number	Title	Priority Date
WO-2017222083-A1	Novel compounds	20160623
AU-2015362790-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
CA-2971413-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3233087-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3233087-B1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216

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Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.04300762
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	166.04300762
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5