2-(4-((5-Chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propanoic acid 2-propyn-1-yl ester
Basic information
- CAS
105511-96-4- Standard SMILES
C#CCOC(=O)C(C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1- InChIKey
JBDHZKLJNAIJNC-UHFFFAOYSA-N- Molecular formula
- C17H13ClFNO4
- Average molar mass
- 349.7 g/mol
- Monoisotopic mass
- 349.0517138
Names & identifiers
- Preferred name
- 2-(4-((5-Chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propanoic acid 2-propyn-1-yl ester
- IUPAC
- prop-2-ynyl 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
- English name
- Propanoicacid,2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-,2-propynylester
- Molecular formula
- C17H13ClFNO4
- Molecular weight
- 349.74
Names & synonyms
105511-96-42-(4-((5-Chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)propanoic acid 2-propyn-1-yl esterBY3NXH6SALUNII-BY3NXH6SALPropanoic acid, 2-(4((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl esterPropanoic acid, 2-(4-((5-chloro-3-fluoro-2-pyridinyl)oxy)phenoxy)-, 2-propynyl esterPROPANOIC ACID, 2-(4-((5-CHLORO-3-FLUORO-2-PYRIDINYL)OXY)PHENOXY)-, 2-PROPYN-1-YL ESTERRefChem:197586(+-)-CLODINAFOP-PROPARGYLprop-2-ynyl 2-[4-(5-chloro-3-fluoropyridin-2-yl)oxyphenoxy]propanoateProp-2-yn-1-yl 2-(4-((5-chloro-3-fluoropyridin-2-yl)oxy)phenoxy)propanoateProp-2-yn-1-yl 2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoate
Show more names
Clodinafop propargyl (racemic), (RS)-Clodinafop propargylPropanoicacid,2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-,2-propynylesterPropanoic acid, 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]-, 2-propyn-1-yl ester
MFCD01632328C17H13ClFNO4JBDHZKLJNAIJNC-UHFFFAOYSA-NSCHEMBL63886Clodinafop propargyl (racemic)orb3238059DTXSID4091528MSK22693
Database identifiers
- CAS
105511-96-4- PubChem CID
- 6916151
- DTXSID
DTXSID4091528- UNII
- BY3NXH6SAL
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 461
Physicochemical properties
- Boiling point
- 432.7 · 432.7±45.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- -1.54 · -1.54±0.32(Predicted)
- FDA UNII
- 3 NXH6SAL · BY3NXH6SAL
- EPA Substance Registry System
- Clodinafop-propargyl (105511-96-4)
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