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Home > Fluorides > 116401-64-0
116401-64-0 | 2-Butenedioic acid (2Z)-, 1,4-bis(2,2,2-trifluoroethyl) ester
CAS No: 116401-64-0 Catalog No: AG000CEA MDL No:MFCD00078313
Product Description
Catalog Number:
AG000CEA
Chemical Name:
2-Butenedioic acid (2Z)-, 1,4-bis(2,2,2-trifluoroethyl) ester
CAS Number:
116401-64-0
Molecular Formula:
C8H6F6O4
Molecular Weight:
280.1213
MDL Number:
MFCD00078313
IUPAC Name:
bis(2,2,2-trifluoroethyl) (Z)-but-2-enedioate
InChI:
InChI=1S/C8H6F6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1-
InChI Key:
KZTDZFZLDVZRCF-UPHRSURJSA-N
SMILES:
O=C(/C=C\C(=O)OCC(F)(F)F)OCC(F)(F)F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
280.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.122g/mol
Monoisotopic Mass:
280.017g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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