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1352216-20-6 | 2',5'-Dimethyl-2,2,3,3,3-pentafluoropropiophenone
CAS No: 1352216-20-6 Catalog No: AG01F993 MDL No:
Product Description
Catalog Number:
AG01F993
Chemical Name:
2',5'-Dimethyl-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
1352216-20-6
Molecular Formula:
C11H9F5O
Molecular Weight:
252.1806
IUPAC Name:
1-(2,5-dimethylphenyl)-2,2,3,3,3-pentafluoropropan-1-one
InChI:
InChI=1S/C11H9F5O/c1-6-3-4-7(2)8(5-6)9(17)10(12,13)11(14,15)16/h3-5H,1-2H3
InChI Key:
PJVWKOBVPMKUKW-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)(F)F)c1cc(C)ccc1C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.057g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.184g/mol
Monoisotopic Mass:
252.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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