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116661-27-9 | Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester, (2S)-
CAS No: 116661-27-9 Catalog No: AG000CYM MDL No:
Product Description
Catalog Number:
AG000CYM
Chemical Name:
Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester, (2S)-
CAS Number:
116661-27-9
Molecular Formula:
C16H13ClF3NO4
Molecular Weight:
375.7269
IUPAC Name:
methyl (2S)-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/t9-/m0/s1
InChI Key:
MFSWTRQUCLNFOM-VIFPVBQESA-N
SMILES:
COC(=O)[C@@H](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:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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