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Home > Fluorides > 101929-87-7
101929-87-7 | Pentanoic acid, 3-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester
CAS No: 101929-87-7 Catalog No: AG0005Z8 MDL No:
Product Description
Catalog Number:
AG0005Z8
Chemical Name:
Pentanoic acid, 3-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester
CAS Number:
101929-87-7
Molecular Formula:
C18H16F3NO5
Molecular Weight:
383.3185
IUPAC Name:
methyl 3-oxo-4-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]pentanoate
InChI:
InChI=1S/C18H16F3NO5/c1-11(15(23)9-17(24)25-2)26-13-4-6-14(7-5-13)27-16-8-3-12(10-22-16)18(19,20)21/h3-8,10-11H,9H2,1-2H3
InChI Key:
AUEXCDGCLRXYJL-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)C(Oc1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.098g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.323g/mol
Monoisotopic Mass:
383.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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