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ethyl 4-fluorocyclohex-3-ene-1-carboxylate

ethyl 4-fluorocyclohex-3-ene-1-carboxylate - CAS 452333-58-3

Catalog:	BB025796
Product Name:	ethyl 4-fluorocyclohex-3-ene-1-carboxylate
CAS:	452333-58-3
Synonyms:	4-fluoro-1-cyclohex-3-enecarboxylic acid ethyl ester; ethyl 4-fluorocyclohex-3-ene-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 4-fluorocyclohex-3-ene-1-carboxylate
Description:	ethyl 4-fluorocyclohex-3-ene-1-carboxylate (CAS# 452333-58-3 ) is a useful research chemical.
Molecular Weight:	172.199
Molecular Formula:	C9H13FO2
Canonical SMILES:	CCOC(=O)C1CCC(=CC1)F
InChI:	InChI=1S/C9H13FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h5,7H,2-4,6H2,1H3
InChI Key:	KBDWYRGBBWDLTP-UHFFFAOYSA-N
LogP:	0.00000

Publication Number	Title	Priority Date
EP-2997012-A1	Fluoro-perhexiline compounds and their therapeutic use	20130515
US-2016102058-A1	Fluoro-perhexiline compounds and their therapeutic use	20130515
WO-2014184561-A1	Fluoro-perhexiline compounds and their therapeutic use	20130515
CA-2764241-A1	Disubstituted-aminodifluorosulfinium salts, process for preparing same and method of use as deoxofluorination reagents	20090619
CA-2764241-C	Disubstituted-aminodifluorosulfinium salts, process for preparing same and method of use as deoxofluorination reagents	20090619

PMID	Publication Date	Title	Journal
20405933	20100521	Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling	The Journal of organic chemistry

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Complexity:	199
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.08995782
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.08995782
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8