Calcium (4-chloro-2-methylphenoxy)acetate structure

Calcium (4-chloro-2-methylphenoxy)acetate

calcium bis(2-(4-chloro-2-methylphenoxy)acetate)

Also Known As: Calcium acetate|MCP-Ca|C9H9ClO3.1/2Ca|EINECS 276-805-8|Calcium (4-chloro-2-methylphenoxy)acetate|C9-H9-Cl-O3.1/2Ca|calcium 2-(4-chloro-2-methylphenoxy)acetate|calcium,2-(4-chloro-2-methylphenoxy)acetate|Calcium bis[(4-chloro-2-methylphenoxy)acetate]|(4-Chloro-2-methyl phenoxy) acetic acid, calcium salt|Acetic acid, 2-(4-chloro-2-methylphenoxy)-, calcium salt (2:1)|Acetic acid,2-(4-chloro-2-methylphenoxy)-, calcium salt (2:1)

CAS: 72731-35-2
Molecular Formula C18H16CaCl2O6
Molecular Weight 437.995 g/mol
LogP 1.17344
Topological Polar Surface Area 98.7 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 437.995
Monoisotopic Mass 437.995
Heavy Atoms 27
Complexity 178.0

Chemical Identifiers

CAS Number 72731-35-2
SMILES CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Ca+2]
InChIKey XLNYBYYHALTQAJ-UHFFFAOYSA-L

Product Overview

Calcium (4-chloro-2-methylphenoxy)acetate (CAS 72731-35-2), with molecular formula C18H16CaCl2O6 and molecular weight 437.995 g/mol. IUPAC: calcium bis(2-(4-chloro-2-methylphenoxy)acetate).

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