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Home > Fluorides > 137947-02-5
137947-02-5 | Propanedioic acid, [(trifluoromethyl)seleno]-, diethyl ester (9CI)
CAS No: 137947-02-5 Catalog No: AG0017PS MDL No:
Product Description
Catalog Number:
AG0017PS
Chemical Name:
Propanedioic acid, [(trifluoromethyl)seleno]-, diethyl ester (9CI)
CAS Number:
137947-02-5
Molecular Formula:
C8H11F3O4Se
Molecular Weight:
307.1257
IUPAC Name:
diethyl 2-(trifluoromethylselanyl)propanedioate
InChI:
InChI=1S/C8H11F3O4Se/c1-3-14-6(12)5(7(13)15-4-2)16-8(9,10)11/h5H,3-4H2,1-2H3
InChI Key:
XNMALUFNBHQXME-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)[Se]C(F)(F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.138g/mol
Monoisotopic Mass:
307.977g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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