Ethyl 5-Fluoro-2,3-dihydroindene-1-acetate - CAS 904290-44-4

Catalog:	BB039852
Product Name:	Ethyl 5-Fluoro-2,3-dihydroindene-1-acetate
CAS:	904290-44-4
Synonyms:	2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetic acid ethyl ester; ethyl 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetate
Description:	Ethyl 5-Fluoro-2,3-dihydroindene-1-acetate (CAS# 904290-44-4 ) is a useful research chemical.
Molecular Weight:	222.26
Molecular Formula:	C13H15FO2
Canonical SMILES:	CCOC(=O)CC1CCC2=C1C=CC(=C2)F
InChI:	InChI=1S/C13H15FO2/c1-2-16-13(15)8-10-4-3-9-7-11(14)5-6-12(9)10/h5-7,10H,2-4,8H2,1H3
InChI Key:	GANKZZYXVVRHAW-UHFFFAOYSA-N
LogP:	2.80870

Publication Number	Title	Priority Date
EP-2006271-A2	Substituted bicyclic cyclic derivative and use thereof	20060330
EP-2006271-A9	Substituted bicyclic cyclic derivative and use thereof	20060330
US-2009054401-A1	Substituted bicyclic derivatives and use thereof	20060330
AU-2006209543-A1	Six-membered heterocyclic compound and the use thereof	20050127
AU-2006209543-B2	Six-membered heterocyclic compound and the use thereof	20050127

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.10560788
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.10560788
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8