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59382-41-1 | 3,5-Bis(trifluoromethyl)phenyl cyclopropyl ketone
CAS No: 59382-41-1 Catalog No: AG01EWKV MDL No:
Product Description
Catalog Number:
AG01EWKV
Chemical Name:
3,5-Bis(trifluoromethyl)phenyl cyclopropyl ketone
CAS Number:
59382-41-1
Molecular Formula:
C12H8F6O
Molecular Weight:
282.1817
IUPAC Name:
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanone
InChI:
InChI=1S/C12H8F6O/c13-11(14,15)8-3-7(10(19)6-1-2-6)4-9(5-8)12(16,17)18/h3-6H,1-2H2
InChI Key:
ASLXJDCPLOELMR-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C1CC1
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.185g/mol
Monoisotopic Mass:
282.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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