5-(4-Chlorophenyl)-1,3-cyclohexanedione - CAS 27463-38-3

Name: 5-(4-Chlorophenyl)-1,3-cyclohexanedione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019574
Product Name:	5-(4-Chlorophenyl)-1,3-cyclohexanedione
CAS:	27463-38-3
Synonyms:	5-(4-chlorophenyl)cyclohexane-1,3-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(4-chlorophenyl)cyclohexane-1,3-dione
Description:	5-(4-Chlorophenyl)-1,3-cyclohexanedione (CAS# 27463-38-3) is a useful research chemical.
Molecular Weight:	222.67
Molecular Formula:	C12H11ClO2
Canonical SMILES:	C1C(CC(=O)CC1=O)C2=CC=C(C=C2)Cl
InChI:	InChI=1S/C12H11ClO2/c13-10-3-1-8(2-4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2
InChI Key:	MAFYKXZPGMHTIA-UHFFFAOYSA-N
Boiling Point:	384.2 °C at 760 mmHg
Density:	1.268 g/cm³
Appearance:	White powder
MDL:	MFCD01945876
LogP:	2.74570

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Publication Number	Title	Priority Date
KR-20200102022-A	Tetrahydroquinazoline derivatives and pharmaceutical composition for preventing or treating psoriasis comprising the same	20190220
WO-2013068592-A1	Inhibitors of cystathionine beta synthase to reduce the neurotoxic overproduction of endogenous hydrogen sulfide	20111110
KR-20080011402-A	Dihydropyridine derivatives	20071123
AU-2008252380-A1	Quinazolin-oxime derivatives as Hsp90 inhibitors	20070517
AU-2008252380-B2	Quinazolin-oxime derivatives as Hsp90 inhibitors	20070517

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.0447573
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.0447573
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2