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1256467-24-9 | 3'-Ethoxy-2,2,2-trifluoroacetophenone
CAS No: 1256467-24-9 Catalog No: AG01FCZH MDL No:
Product Description
Catalog Number:
AG01FCZH
Chemical Name:
3'-Ethoxy-2,2,2-trifluoroacetophenone
CAS Number:
1256467-24-9
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
1-(3-ethoxyphenyl)-2,2,2-trifluoroethanone
InChI:
InChI=1S/C10H9F3O2/c1-2-15-8-5-3-4-7(6-8)9(14)10(11,12)13/h3-6H,2H2,1H3
InChI Key:
BNSDGVCHHGBGJG-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1)C(=O)C(F)(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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