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1260816-44-1 | Ethanone, 1-[4-amino-3-fluoro-2-(trifluoromethyl)phenyl]-
CAS No: 1260816-44-1 Catalog No: AG000RDB MDL No:
Product Description
Catalog Number:
AG000RDB
Chemical Name:
Ethanone, 1-[4-amino-3-fluoro-2-(trifluoromethyl)phenyl]-
CAS Number:
1260816-44-1
Molecular Formula:
C9H7F4NO
Molecular Weight:
221.1516
IUPAC Name:
1-[4-amino-3-fluoro-2-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H7F4NO/c1-4(15)5-2-3-6(14)8(10)7(5)9(11,12)13/h2-3H,14H2,1H3
InChI Key:
IADBODLFBMVIJB-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(c(c1C(F)(F)F)F)N
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.155g/mol
Monoisotopic Mass:
221.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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