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Home > Fluorides > 128550-40-3
128550-40-3 | Acetamide, N-[3,3,3-trifluoro-2-oxo-1-(phenylmethyl)propyl]-
CAS No: 128550-40-3 Catalog No: AG000Y6X MDL No:
Product Description
Catalog Number:
AG000Y6X
Chemical Name:
Acetamide, N-[3,3,3-trifluoro-2-oxo-1-(phenylmethyl)propyl]-
CAS Number:
128550-40-3
Molecular Formula:
C12H12F3NO2
Molecular Weight:
259.2244
IUPAC Name:
N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide
InChI:
InChI=1S/C12H12F3NO2/c1-8(17)16-10(11(18)12(13,14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,16,17)
InChI Key:
JTIIYPHJIDENCW-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C(Cc1ccccc1)NC(=O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.228g/mol
Monoisotopic Mass:
259.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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