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Home Halogens Methyl 2-(4-((3-chloro-5-(trifluoromethyl);pyridin-2-yl);oxy);phenoxy);propanoate

Methyl 2-(4-((3-chloro-5-(trifluoromethyl);pyridin-2-yl);oxy);phenoxy);propanoate

CAS No.:
69806-40-2
Catalog Number:
AG0066TX
Molecular Formula:
C16H13ClF3NO4
Molecular Weight:
375.7269
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Product Description
Catalog Number:
AG0066TX
Chemical Name:
Methyl 2-(4-((3-chloro-5-(trifluoromethyl);pyridin-2-yl);oxy);phenoxy);propanoate
CAS Number:
69806-40-2
Molecular Formula:
C16H13ClF3NO4
Molecular Weight:
375.7269
MDL Number:
MFCD01310644
IUPAC Name:
methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
InChI:
InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3
InChI Key:
MFSWTRQUCLNFOM-UHFFFAOYSA-N
SMILES:
COC(=O)C(Oc1ccc(cc1)Oc1ncc(cc1Cl)C(F)(F)F)C
Properties
Complexity:
444  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.049g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.728g/mol
Monoisotopic Mass:
375.049g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Chiral separation of three agrochemical toxins enantiomers by high-performance liquid chromatography on a vancomycin crystalline degradation products-chiral stationary phase. Biomedical chromatography : BMC 20070301
Properties