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59382-40-0 | 4-Fluoro-3-(trifluoromethyl)phenyl cyclopropyl ketone
CAS No: 59382-40-0 Catalog No: AG01EWKU MDL No:
Product Description
Catalog Number:
AG01EWKU
Chemical Name:
4-Fluoro-3-(trifluoromethyl)phenyl cyclopropyl ketone
CAS Number:
59382-40-0
Molecular Formula:
C11H8F4O
Molecular Weight:
232.1742
IUPAC Name:
cyclopropyl-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
InChI:
InChI=1S/C11H8F4O/c12-9-4-3-7(10(16)6-1-2-6)5-8(9)11(13,14)15/h3-6H,1-2H2
InChI Key:
IYHQBPJIZSYXKD-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C(F)(F)F)F)C1CC1
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.178g/mol
Monoisotopic Mass:
232.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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