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5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione

5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione - CAS 55579-74-3

Catalog:	BB029096
Product Name:	5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione
CAS:	55579-74-3
Synonyms:	5-(2,6-dichlorophenyl)cyclohexane-1,3-dione; 5-(2,6-dichlorophenyl)cyclohexane-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	5-(2,6-dichlorophenyl)cyclohexane-1,3-dione
Description:	5-(2,6-Dichlorophenyl)cyclohexane-1,3-dione (CAS# 55579-74-3) is a useful research chemical compound.
Molecular Weight:	257.11
Molecular Formula:	C12H10Cl2O2
Canonical SMILES:	C1C(CC(=O)CC1=O)C2=C(C=CC=C2Cl)Cl
InChI:	InChI=1S/C12H10Cl2O2/c13-10-2-1-3-11(14)12(10)7-4-8(15)6-9(16)5-7/h1-3,7H,4-6H2
InChI Key:	XFSFQUOJDRNZIT-UHFFFAOYSA-N
MDL:	MFCD00104793
LogP:	3.39910

Publication Number	Title	Priority Date
US-2007112015-A1	Substituted dihydropyridines and methods of use	20051028
WO-2007051062-A2	Substituted dihydropyridines and methods of use	20051028
CA-2390921-A1	Process for the production of optically active cyclic enaminone derivative	19991110
EP-1229019-A1	Process for the production of optically active cyclic enaminone derivatives	19991110
JP-2001199906-A	Method for producing optically active cyclic enaminone derivatives	19991110

PMID	Publication Date	Title	Journal
22189273	20120115	Cyclohexane 1,3-diones and their inhibition of mutant SOD1-dependent protein aggregation and toxicity in PC12 cells	Bioorganic & medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[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
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.0057849
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.0057849
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6