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Home > Fluorides > 1443305-48-3
1443305-48-3 | 4'-iso-Butoxy-2',6'-dimethyl-2,2,2-trifluoroacetophenone
CAS No: 1443305-48-3 Catalog No: AG01F7JP MDL No:
Product Description
Catalog Number:
AG01F7JP
Chemical Name:
4'-iso-Butoxy-2',6'-dimethyl-2,2,2-trifluoroacetophenone
CAS Number:
1443305-48-3
Molecular Formula:
C14H17F3O2
Molecular Weight:
274.2788
IUPAC Name:
1-[2,6-dimethyl-4-(2-methylpropoxy)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C14H17F3O2/c1-8(2)7-19-11-5-9(3)12(10(4)6-11)13(18)14(15,16)17/h5-6,8H,7H2,1-4H3
InChI Key:
WJWULSCHHZGTOD-UHFFFAOYSA-N
SMILES:
CC(COc1cc(C)c(c(c1)C)C(=O)C(F)(F)F)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.118g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.283g/mol
Monoisotopic Mass:
274.118g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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