4-(4-Fluorophenyl)cyclohexanone - CAS 40503-86-4

Catalog:	BB024536
Product Name:	4-(4-Fluorophenyl)cyclohexanone
CAS:	40503-86-4
Synonyms:	4-(4-fluorophenyl)-1-cyclohexanone; 4-(4-fluorophenyl)cyclohexan-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(4-fluorophenyl)cyclohexan-1-one
Description:	4-(4-Fluorophenyl)cyclohexanone (CAS# 40503-86-4) is a useful research chemical.
Molecular Weight:	192.23
Molecular Formula:	C12H13FO
Canonical SMILES:	C1CC(=O)CCC1C2=CC=C(C=C2)F
InChI:	InChI=1S/C12H13FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2
InChI Key:	KSQIGHIYGAPXCW-UHFFFAOYSA-N
Boiling Point:	292.32 °C at 760 mmHg
Density:	1.122 g/cm³
LogP:	3.05240

Publication Number	Title	Priority Date
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
US-2021171474-A1	Glycolate oxidase inhibitors for the treatment of disease	20171229
EP-3515914-A1	NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20160924
TW-201825487-A	Novel 5 or 8-substituted imidazo[1,5-a]pyridine as a selective inhibitor of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20160924
US-2020024273-A1	NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1,5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2,3-DIOXYGENASES	20160924

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.095043196
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.095043196
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2