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Haloxyfop Impurity 1

CAT: 1596-AR-H07423-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-H07423-02Size:25 Units
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CAS Number
87237-48-7
Molecular Formula
C19H19ClF3NO5
Molecular Weight
433.81
API Name
Haloxyfop

Chemical Information

Haloxyfop-etotyl

2-ethoxyethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate is a carboxylic ester that is the resulting from the formal condensation of the carboxy group of 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of 2-ethoxyethanol. It is a member of pyridines, a carboxylic ester, an aromatic ether, an organochlorine compound and an organofluorine compound. It is functionally related to a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid and a 2-ethoxyethanol.

CAS Number87237-48-7
PubChem CID91743
IUPAC Name2-ethoxyethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
Molecular FormulaC19H19ClF3NO5
Molecular Weight433.8
XLogP4.7
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity503
SMILES
CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
InChI
InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3
InChIKey
MIJLZGZLQLAQCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Haloxyfop-etotyl
CAS: 87237-48-7
CID: 91743
Formula: C19H19ClF3NO5
MW: 433.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.8
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass433.0903849
Monoisotopic Mass433.0903849
Topological Polar Surface Area66.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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