Home Aminos Ethanone, 1-[2-amino-4-(trifluoromethyl)phenyl]-2,2,2-trifluoro-

Ethanone, 1-[2-amino-4-(trifluoromethyl)phenyl]-2,2,2-trifluoro-

CAS No.:
1448858-61-4
Catalog Number:
AG001KAH
Molecular Formula:
C9H5F6NO
Molecular Weight:
257.1325
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Product Description
Catalog Number:
AG001KAH
Chemical Name:
Ethanone, 1-[2-amino-4-(trifluoromethyl)phenyl]-2,2,2-trifluoro-
CAS Number:
1448858-61-4
Molecular Formula:
C9H5F6NO
Molecular Weight:
257.1325
MDL Number:
MFCD25976379
IUPAC Name:
1-[2-amino-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
InChI:
InChI=1S/C9H5F6NO/c10-8(11,12)4-1-2-5(6(16)3-4)7(17)9(13,14)15/h1-3H,16H2
InChI Key:
GVXKLCBPDVZTPN-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1C(=O)C(F)(F)F)C(F)(F)F
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.028g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
257.135g/mol
Monoisotopic Mass:
257.028g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties