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Home > Fluorides > 1256467-44-3
1256467-44-3 | 3'-Fluoro-5'-methyl-2,2,2-trifluoroacetophenone
CAS No: 1256467-44-3 Catalog No: AG01F9SF MDL No:
Product Description
Catalog Number:
AG01F9SF
Chemical Name:
3'-Fluoro-5'-methyl-2,2,2-trifluoroacetophenone
CAS Number:
1256467-44-3
Molecular Formula:
C9H6F4O
Molecular Weight:
206.1370
IUPAC Name:
2,2,2-trifluoro-1-(3-fluoro-5-methylphenyl)ethanone
InChI:
InChI=1S/C9H6F4O/c1-5-2-6(4-7(10)3-5)8(14)9(11,12)13/h2-4H,1H3
InChI Key:
DYTIJUNDYQTOSH-UHFFFAOYSA-N
SMILES:
Cc1cc(F)cc(c1)C(=O)C(F)(F)F
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.035g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.14g/mol
Monoisotopic Mass:
206.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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