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1443343-54-1 | 2'-iso-Butoxy-2,2,2-trifluoroacetophenone
CAS No: 1443343-54-1 Catalog No: AG01FBOE MDL No:
Product Description
Catalog Number:
AG01FBOE
Chemical Name:
2'-iso-Butoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443343-54-1
Molecular Formula:
C12H13F3O2
Molecular Weight:
246.2256
IUPAC Name:
2,2,2-trifluoro-1-[2-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C12H13F3O2/c1-8(2)7-17-10-6-4-3-5-9(10)11(16)12(13,14)15/h3-6,8H,7H2,1-2H3
InChI Key:
WXSCCNXVQWOBBQ-UHFFFAOYSA-N
SMILES:
CC(COc1ccccc1C(=O)C(F)(F)F)C
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.087g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.229g/mol
Monoisotopic Mass:
246.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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