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Home > Fluorides > 1443314-51-9
1443314-51-9 | 3',5'-Dimethyl-4'-methoxy-2,2,3,3,3-pentafluoropropiophenone
CAS No: 1443314-51-9 Catalog No: AG01F6QF MDL No:
Product Description
Catalog Number:
AG01F6QF
Chemical Name:
3',5'-Dimethyl-4'-methoxy-2,2,3,3,3-pentafluoropropiophenone
CAS Number:
1443314-51-9
Molecular Formula:
C12H11F5O2
Molecular Weight:
282.2066
IUPAC Name:
2,2,3,3,3-pentafluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C12H11F5O2/c1-6-4-8(5-7(2)9(6)19-3)10(18)11(13,14)12(15,16)17/h4-5H,1-3H3
InChI Key:
IGSDOBQISOCSBA-UHFFFAOYSA-N
SMILES:
COc1c(C)cc(cc1C)C(=O)C(C(F)(F)F)(F)F
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.21g/mol
Monoisotopic Mass:
282.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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