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Propaquizafop

CAT: 0572-TRC-P757320-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P757320-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111479-05-1
Hazard Statement
Harmful if inhaled; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
C[C@@H](Oc1ccc(Oc2ncc3cc(Cl)ccc3n2)cc1)C(=O)OCCON=C(C)C
Molecular Formula
C22 H22 Cl N3 O5
Molecular Weight
443.88
InChI
InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-21(27)15(3)30-18-5-7-19(8-6-18)31-22-24-13-16-12-17(23)4-9-20(16)25-22/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1
Additionnal Information
IUPAC name: 2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinazolin-2-yl)oxyphenoxy]propanoate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Propaquizafop

Propaquizafop is a quinoxaline derivative used as systemic herbicide for annual and perennial grasses. It has a role as an agrochemical, a xenobiotic, a phenoxy herbicide and an environmental contaminant. It is a carboxylic ester, an aromatic ether, an organochlorine compound, an oxime O-ether and a quinoxaline derivative.

CAS Number111479-05-1
PubChem CID16213016
IUPAC Name2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Molecular FormulaC22H22ClN3O5
Molecular Weight443.9
XLogP4.6
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity596
SMILES
C[C@H](C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1
InChIKey
FROBCXTULYFHEJ-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Propaquizafop
CAS: 111479-05-1
CID: 16213016
Formula: C22H22ClN3O5
MW: 443.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.9
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass443.1247985
Monoisotopic Mass443.1247985
Topological Polar Surface Area92.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7106-10Propaquizafop
HY-117262RPropaquizafop (Standard)
AR-P32895-01Propaquizafop Impurity 1
LCS-60341000 ug/mL Propaquizafop in HPLC Acetonitrile - 1ML
P878130APropaquizafop [CAS:111479-05-1] 100ug/ml in Acetone

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