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Methyl 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylate

Methyl 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylate - CAS 80912-51-2

Catalog:	BB036578
Product Name:	Methyl 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylate
CAS:	80912-51-2
Synonyms:	1-(4-fluorophenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester; methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 1-(4-fluorophenyl)-4-oxocyclohexane-1-carboxylate
Description:	Methyl 1-(4-Fluorophenyl)-4-oxocyclohexanecarboxylate (CAS# 80912-51-2 ) is a useful research chemical.
Molecular Weight:	250.27
Molecular Formula:	C14H15FO3
Canonical SMILES:	COC(=O)C1(CCC(=O)CC1)C2=CC=C(C=C2)F
InChI:	InChI=1S/C14H15FO3/c1-18-13(17)14(8-6-12(16)7-9-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3
InChI Key:	NCQFIBJQOZPYOI-UHFFFAOYSA-N
MDL:	MFCD22423113
LogP:	2.37960

Publication Number	Title	Priority Date
SU-1099845-A3	Process for preparing derivatives of 1-(4-arylcyclohexyl)piperidine or their salts with acids or their stereoisomers	19801022
US-4329353-A	1-(4-Aryl-cyclohexyl)piperidine derivatives, method of use thereof and pharmaceutical compositions thereof	19801022
EP-0035902-A1	1-(4-Aryl-cyclohexyl)piperidine derivatives	19800310
EP-0035902-B1	1-(4-aryl-cyclohexyl)piperidine derivatives	19800310
FI-73428-B	FOR EXAMINATION OF THERAPEUTIC ANALYSIS 1-ARYL-8- (4-ARYLCYKLOHEXYL) -1,3,8-TRIAZASPIRO / 4,5 / DECAN-4-ONDERIVATER.	19800310

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	322
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	250.10052250
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	250.10052250
Rotatable Bond Count:	3
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8