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Home > Fluorides > 1443329-42-7
1443329-42-7 | 3'-iso-Butoxy-4'-methoxy-2,2,2-trifluoroacetophenone
CAS No: 1443329-42-7 Catalog No: AG01F8K2 MDL No:
Product Description
Catalog Number:
AG01F8K2
Chemical Name:
3'-iso-Butoxy-4'-methoxy-2,2,2-trifluoroacetophenone
CAS Number:
1443329-42-7
Molecular Formula:
C13H15F3O3
Molecular Weight:
276.2516
IUPAC Name:
2,2,2-trifluoro-1-[4-methoxy-3-(2-methylpropoxy)phenyl]ethanone
InChI:
InChI=1S/C13H15F3O3/c1-8(2)7-19-11-6-9(4-5-10(11)18-3)12(17)13(14,15)16/h4-6,8H,7H2,1-3H3
InChI Key:
IVDPYPMSTNWQFQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCC(C)C)C(=O)C(F)(F)F
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.255g/mol
Monoisotopic Mass:
276.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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