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69335-90-6 | methyl 2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate
CAS No: 69335-90-6 Catalog No: AG006FUZ MDL No:
Product Description
Catalog Number:
AG006FUZ
Chemical Name:
methyl 2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate
CAS Number:
69335-90-6
Molecular Formula:
C16H14F3NO4
Molecular Weight:
341.2819
IUPAC Name:
methyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate
InChI:
InChI=1S/C16H14F3NO4/c1-10(15(21)22-2)23-12-4-6-13(7-5-12)24-14-8-3-11(9-20-14)16(17,18)19/h3-10H,1-2H3
InChI Key:
IAUMNRCGDHLAMJ-UHFFFAOYSA-N
SMILES:
COC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.286g/mol
Monoisotopic Mass:
341.087g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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