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Home Other Building Blocks Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester

Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester

CAS No.:
262609-07-4
Catalog Number:
AG002SHW
Molecular Formula:
C13H13F3O4
Molecular Weight:
290.2351
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Product Description
Catalog Number:
AG002SHW
Chemical Name:
Propanedioic acid, 2-(2,4,6-trifluorophenyl)-, 1,3-diethyl ester
CAS Number:
262609-07-4
Molecular Formula:
C13H13F3O4
Molecular Weight:
290.2351
MDL Number:
MFCD04039210
IUPAC Name:
diethyl 2-(2,4,6-trifluorophenyl)propanedioate
InChI:
InChI=1S/C13H13F3O4/c1-3-19-12(17)11(13(18)20-4-2)10-8(15)5-7(14)6-9(10)16/h5-6,11H,3-4H2,1-2H3
InChI Key:
VCCISIBKCNTCLR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1c(F)cc(cc1F)F)C(=O)OCC
EC Number:
607-899-4
Properties
Complexity:
321  
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  
Properties