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114066-56-7 | Propanoic acid, 3,3,3-trifluoro-2-[(2,2,2-trifluoroacetyl)imino]-, methyl ester
CAS No: 114066-56-7 Catalog No: AG000AG4 MDL No:MFCD05664152
Product Description
Catalog Number:
AG000AG4
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-[(2,2,2-trifluoroacetyl)imino]-, methyl ester
CAS Number:
114066-56-7
Molecular Formula:
C6H3F6NO3
Molecular Weight:
251.0833
MDL Number:
MFCD05664152
IUPAC Name:
methyl 3,3,3-trifluoro-2-(2,2,2-trifluoroacetyl)iminopropanoate
InChI:
InChI=1S/C6H3F6NO3/c1-16-3(14)2(5(7,8)9)13-4(15)6(10,11)12/h1H3
InChI Key:
XVAPGVSZBZOUTQ-UHFFFAOYSA-N
SMILES:
COC(=O)C(=NC(=O)C(F)(F)F)C(F)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.002g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.084g/mol
Monoisotopic Mass:
251.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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