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Home > Fluorides > 1256466-93-9
1256466-93-9 | 2',5'-Dimethoxy-2,2,2-trifluoroacetophenone
CAS No: 1256466-93-9 Catalog No: AG01FAW2 MDL No:
Product Description
Catalog Number:
AG01FAW2
Chemical Name:
2',5'-Dimethoxy-2,2,2-trifluoroacetophenone
CAS Number:
1256466-93-9
Molecular Formula:
C10H9F3O3
Molecular Weight:
234.1719
IUPAC Name:
1-(2,5-dimethoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H9F3O3/c1-15-6-3-4-8(16-2)7(5-6)9(14)10(11,12)13/h3-5H,1-2H3
InChI Key:
JPUPBTDNNDMNAO-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(=O)C(F)(F)F)OC
Properties
Complexity:
252
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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