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1256482-56-0 | 4'-Chloro-3',5'-dimethyl-2,2,2-trifluoroacetophenone
CAS No: 1256482-56-0 Catalog No: AG01F8FY MDL No:
Product Description
Catalog Number:
AG01F8FY
Chemical Name:
4'-Chloro-3',5'-dimethyl-2,2,2-trifluoroacetophenone
CAS Number:
1256482-56-0
Molecular Formula:
C10H8ClF3O
Molecular Weight:
236.6181
IUPAC Name:
1-(4-chloro-3,5-dimethylphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H8ClF3O/c1-5-3-7(4-6(2)8(5)11)9(15)10(12,13)14/h3-4H,1-2H3
InChI Key:
OHJNUNGFJYRXRJ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)c1cc(C)c(c(c1)C)Cl
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.618g/mol
Monoisotopic Mass:
236.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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