FRCD

Common Name	Cloxyfonac-sodium(F11177)
2D Structure
FRCD ID	F11177
CAS Number	32791-87-0
PubChem CID	23674044
Formula	C9H8ClNaO4
IUPAC Name	sodium;2-[4-chloro-2-(hydroxymethyl)phenoxy]acetate
InChI Key	KJBSWAMTBIEBMP-UHFFFAOYSA-M
InChI	InChI=1S/C9H9ClO4.Na/c10-7-1-2-8(6(3-7)4-11)14-5-9(12)13;/h1-3,11H,4-5H2,(H,12,13);/q;+1/p-1
Canonical SMILES	C1=CC(=C(C=C1Cl)CO)OCC(=O)[O-].[Na+]
Isomeric SMILES	C1=CC(=C(C=C1Cl)CO)OCC(=O)[O-].[Na+]
Synonyms	Cloxyfonac-sodium Cloxyfonac-sodium [ISO] UNII-VR2B8SL880 32791-87-0 VR2B8SL880 Tomatlane CHEBI:81983 DTXSID20186456 C18819 SCHEMBL1375502
Classifies	Pesticide
Update Date	Nov 13, 2018 17:07

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenoxyacetic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Chlorophenoxyacetates
Alternative Parents	Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Phenoxy compounds Alkyl aryl ethers Primary alcohols Monocarboxylic acids and derivatives Carboxylic acids Aryl chlorides Chlorobenzenes Organic sodium salts Organic zwitterions Phenol ethers Aromatic alcohols Carboxylic acid salts Organic metal halides Benzyl alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorophenoxyacetate - Phenoxy compound - Benzyl alcohol - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Carboxylic acid salt - Organic metal halide - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Alcohol - Organohalogen compound - Organochloride - Organooxygen compound - Primary alcohol - Aromatic alcohol - Organic zwitterion - Organic salt - Carbonyl group - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorophenoxyacetates. These are compounds containing a phenoxyacetate that carries one or more chlorine atoms on the benzene ring.

Property Name	Property Value
Molecular Weight	238.599
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Complexity	203
Monoisotopic Mass	238.001
Exact Mass	238.001
Formal Charge	0
Heavy Atom Count	15
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

Cloxyfonac-sodium