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Home > Fluorides > 1352223-80-3
1352223-80-3 | 4'-tert-Butyl-2,2,3,3,3-pentafluoropropiophenone
CAS No: 1352223-80-3 Catalog No: AG01F9IK MDL No:
Product Description
Catalog Number:
AG01F9IK
Chemical Name:
4'-tert-Butyl-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
1352223-80-3
Molecular Formula:
C13H13F5O
Molecular Weight:
280.2337
IUPAC Name:
1-(4-tert-butylphenyl)-2,2,3,3,3-pentafluoropropan-1-one
InChI:
InChI=1S/C13H13F5O/c1-11(2,3)9-6-4-8(5-7-9)10(19)12(14,15)13(16,17)18/h4-7H,1-3H3
InChI Key:
JZINRVGWZSSDBU-UHFFFAOYSA-N
SMILES:
O=C(C(C(F)(F)F)(F)F)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.089g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.238g/mol
Monoisotopic Mass:
280.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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