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Home > Fluorides > 118569-68-9
118569-68-9 | 4'-iso-Butyl-2,2,2-trifluoroacetophenone
CAS No: 118569-68-9 Catalog No: AG01FBSF MDL No:
Product Description
Catalog Number:
AG01FBSF
Chemical Name:
4'-iso-Butyl-2,2,2-trifluoroacetophenone
CAS Number:
118569-68-9
Molecular Formula:
C12H13F3O
Molecular Weight:
230.2262
IUPAC Name:
2,2,2-trifluoro-1-[4-(2-methylpropyl)phenyl]ethanone
InChI:
InChI=1S/C12H13F3O/c1-8(2)7-9-3-5-10(6-4-9)11(16)12(13,14)15/h3-6,8H,7H2,1-2H3
InChI Key:
RLICWPXGGGICOA-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)C(=O)C(F)(F)F)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.23g/mol
Monoisotopic Mass:
230.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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