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Home > Fluorides > 929099-06-9
929099-06-9 | 3',5'-Dimethoxy-2,2,2-trifluoroacetophenone
CAS No: 929099-06-9 Catalog No: AG01EZBJ MDL No:
Product Description
Catalog Number:
AG01EZBJ
Chemical Name:
3',5'-Dimethoxy-2,2,2-trifluoroacetophenone
CAS Number:
929099-06-9
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
IUPAC Name:
1-(3,5-dimethoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H9F3O3/c1-15-7-3-6(4-8(5-7)16-2)9(14)10(11,12)13/h3-5H,1-2H3
InChI Key:
VUKIKFLHBUJBKW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C(=O)C(F)(F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.174g/mol
Monoisotopic Mass:
234.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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