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42452-32-4 | 2'-iso-Propoxy-2,2,2-trifluoroacetophenone
CAS No: 42452-32-4 Catalog No: AG01EVX6 MDL No:
Product Description
Catalog Number:
AG01EVX6
Chemical Name:
2'-iso-Propoxy-2,2,2-trifluoroacetophenone
CAS Number:
42452-32-4
Molecular Formula:
C11H11F3O2
Molecular Weight:
232.1990
IUPAC Name:
2,2,2-trifluoro-1-(2-propan-2-yloxyphenyl)ethanone
InChI:
InChI=1S/C11H11F3O2/c1-7(2)16-9-6-4-3-5-8(9)10(15)11(12,13)14/h3-7H,1-2H3
InChI Key:
GMCFEKDOHMBXEI-UHFFFAOYSA-N
SMILES:
CC(Oc1ccccc1C(=O)C(F)(F)F)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.071g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.202g/mol
Monoisotopic Mass:
232.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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