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Home > Fluorides > 262609-08-5
262609-08-5 | Propanedioic acid, 2-(2,4,5-trifluorophenyl)-, 1,3-diethyl ester
CAS No: 262609-08-5 Catalog No: AG002SHV MDL No:
Product Description
Catalog Number:
AG002SHV
Chemical Name:
Propanedioic acid, 2-(2,4,5-trifluorophenyl)-, 1,3-diethyl ester
CAS Number:
262609-08-5
Molecular Formula:
C13H13F3O4
Molecular Weight:
290.2351
IUPAC Name:
diethyl 2-(2,4,5-trifluorophenyl)propanedioate
InChI:
InChI=1S/C13H13F3O4/c1-3-19-12(17)11(13(18)20-4-2)7-5-9(15)10(16)6-8(7)14/h5-6,11H,3-4H2,1-2H3
InChI Key:
JLRYTDXBEUBXCT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cc(F)c(cc1F)F)C(=O)OCC
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.238g/mol
Monoisotopic Mass:
290.077g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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