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220141-73-1 | 3',4',5'-Trifluoroacetophenone
CAS No: 220141-73-1 Catalog No: AG003IEK MDL No:MFCD00083533
Product Description
Catalog Number:
AG003IEK
Chemical Name:
3',4',5'-Trifluoroacetophenone
CAS Number:
220141-73-1
Molecular Formula:
C8H5F3O
Molecular Weight:
174.1199
MDL Number:
MFCD00083533
IUPAC Name:
1-(3,4,5-trifluorophenyl)ethanone
InChI:
InChI=1S/C8H5F3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,1H3
InChI Key:
KXVIYAHOUAMVJX-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.122g/mol
Monoisotopic Mass:
174.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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