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1443350-82-0 | 3'-iso-Butoxy-2,2,2,2'-tetrafluoroacetophenone
CAS No: 1443350-82-0 Catalog No: AG01FA50 MDL No:
Product Description
Catalog Number:
AG01FA50
Chemical Name:
3'-iso-Butoxy-2,2,2,2'-tetrafluoroacetophenone
CAS Number:
1443350-82-0
Molecular Formula:
C12H12F4O2
Molecular Weight:
264.2161
IUPAC Name:
2,2,2-trifluoro-1-[2-fluoro-3-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C12H12F4O2/c1-7(2)6-18-9-5-3-4-8(10(9)13)11(17)12(14,15)16/h3-5,7H,6H2,1-2H3
InChI Key:
VMPDPPCJQDYNIJ-UHFFFAOYSA-N
SMILES:
CC(COc1cccc(c1F)C(=O)C(F)(F)F)C
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.22g/mol
Monoisotopic Mass:
264.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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