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Home > Fluorides > 1335013-55-2
1335013-55-2 | 2,2,2-Trifluoro-1-(4-fluoro-3-trifluoromethyl-phenyl)-ethanone
CAS No: 1335013-55-2 Catalog No: AG01F66J MDL No:MFCD22688446
Product Description
Catalog Number:
AG01F66J
Chemical Name:
2,2,2-Trifluoro-1-(4-fluoro-3-trifluoromethyl-phenyl)-ethanone
CAS Number:
1335013-55-2
Molecular Formula:
C9H3F7O
Molecular Weight:
260.1083
MDL Number:
MFCD22688446
IUPAC Name:
2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H3F7O/c10-6-2-1-4(7(17)9(14,15)16)3-5(6)8(11,12)13/h1-3H
InChI Key:
BGAMLBLEPGFYPV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C(F)(F)F)C(=O)C(F)(F)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.111g/mol
Monoisotopic Mass:
260.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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