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1443305-50-7 | 2'-iso-Butoxy-5'-chloro-2,2,2-trifluoroacetophenone
CAS No: 1443305-50-7 Catalog No: AG01F8T5 MDL No:
Product Description
Catalog Number:
AG01F8T5
Chemical Name:
2'-iso-Butoxy-5'-chloro-2,2,2-trifluoroacetophenone
CAS Number:
1443305-50-7
Molecular Formula:
C12H12ClF3O2
Molecular Weight:
280.6707
IUPAC Name:
1-[5-chloro-2-(2-methylpropoxy)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C12H12ClF3O2/c1-7(2)6-18-10-4-3-8(13)5-9(10)11(17)12(14,15)16/h3-5,7H,6H2,1-2H3
InChI Key:
BBKZVJUYPFOHMM-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1C(=O)C(F)(F)F)Cl)C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.671g/mol
Monoisotopic Mass:
280.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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