POTASSIUM PENTACHLOROPHENATE

General Information

Mainterm	POTASSIUM PENTACHLOROPHENATE
CAS Reg.No.(or other ID)	7778-73-6
Regnum	175.105 176.180 177.1200 177.1210 176.210 176.300 181.30 176.200 178.3120

From www.fda.gov

Computed Descriptors

2D Structure
CID	23669628
IUPAC Name	potassium;2,3,4,5,6-pentachlorophenolate
InChI	InChI=1S/C6HCl5O.K/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1
InChI Key	WYQQGYULUDOPRU-UHFFFAOYSA-M
Canonical SMILES	C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[K+]
Molecular Formula	C6Cl5KO
Wikipedia	potassium pentachlorophenoxide

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	304.413
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Complexity	155.0
CACTVS Substructure Key Fingerprint	A A A D c Q B g I A A H Q A A A A A A A A A A A A A A A A A A A A A A w A A A A A A A A A A A B A A A A C g I A A A A A C A Y A k C A A B o A A A A C A A A B A A A A C A A A g J E A A i k A E C 4 g I J i K B E h K A M A A k w B E I i A e A Q A A A A C A Q A Q C A C A Q A Q C A C A Q A Q C A A A A A A A A A = =
Topological Polar Surface Area	23.1
Monoisotopic Mass	301.803
Exact Mass	303.8
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	13
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Chlorobenzenes
Alternative Parents	Organic potassium salts Organic cations Hydrocarbon derivatives Aryl chlorides Organic oxides Organooxygen compounds Phenoxides Organochlorides Organic metal halides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorobenzene - Phenoxide - Aryl chloride - Aryl halide - Organic metal halide - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Organic salt - Organic potassium salt - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.

From ClassyFire