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Chlorazifop Propargyl Ester

CAT: 0572-TRC-C315150-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C315150-100MGSize:100 mg
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CAS Number
72280-52-5
Hazard Statement
No Data Available
Smiles
CC(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)OCC#C
Molecular Formula
C17 H13 Cl2 N O4
Molecular Weight
366.195
InChI
InChI=1S/C17H13Cl2NO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3
Additionnal Information
IUPAC name: prop-2-ynyl 2-[4-(3,5-dichloropyridin-2-yl)oxyphenoxy]propanoate
Shipping Conditions
Room Temperature

Chemical Information

Prop-2-ynyl 2-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]propionate
CAS Number72280-52-5
PubChem CID91712
IUPAC Nameprop-2-ynyl 2-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
Molecular FormulaC17H13Cl2NO4
Molecular Weight366.2
XLogP4.4
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity459
SMILES
CC(C(=O)OCC#C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)Cl)Cl
InChI
InChI=1S/C17H13Cl2NO4/c1-3-8-22-17(21)11(2)23-13-4-6-14(7-5-13)24-16-15(19)9-12(18)10-20-16/h1,4-7,9-11H,8H2,2H3
InChIKey
ASALLPQQHGTWEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prop-2-ynyl 2-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]propionate
CAS: 72280-52-5
CID: 91712
Formula: C17H13Cl2NO4
MW: 366.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.2
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass365.0221633
Monoisotopic Mass365.0221633
Topological Polar Surface Area57.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity459
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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