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Home > Fluorides > 1208076-52-1
1208076-52-1 | 2,2,2-Trifluoro-1-(2,3,6-trifluoro-phenyl)-ethanone
CAS No: 1208076-52-1 Catalog No: AG01F8OZ MDL No:MFCD12547804
Product Description
Catalog Number:
AG01F8OZ
Chemical Name:
2,2,2-Trifluoro-1-(2,3,6-trifluoro-phenyl)-ethanone
CAS Number:
1208076-52-1
Molecular Formula:
C8H2F6O
Molecular Weight:
228.0913
MDL Number:
MFCD12547804
IUPAC Name:
2,2,2-trifluoro-1-(2,3,6-trifluorophenyl)ethanone
InChI:
InChI=1S/C8H2F6O/c9-3-1-2-4(10)6(11)5(3)7(15)8(12,13)14/h1-2H
InChI Key:
CWYYDJBYBHUJGF-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1C(=O)C(F)(F)F)F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.093g/mol
Monoisotopic Mass:
228.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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