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1579-89-1 | Acetamide, N-[4-amino-3-(trifluoromethyl)phenyl]-
CAS No: 1579-89-1 Catalog No: AG001PTI MDL No:MFCD00270762
Product Description
Catalog Number:
AG001PTI
Chemical Name:
Acetamide, N-[4-amino-3-(trifluoromethyl)phenyl]-
CAS Number:
1579-89-1
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
MDL Number:
MFCD00270762
IUPAC Name:
N-[4-amino-3-(trifluoromethyl)phenyl]acetamide
InChI:
InChI=1S/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4H,13H2,1H3,(H,14,15)
InChI Key:
QMCLCXKXDXBQLB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(c(c1)C(F)(F)F)N
EC Number:
605-120-2
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.179g/mol
Monoisotopic Mass:
218.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Microbial metabolism. Part 11. Metabolites of flutamide. | Chemical & pharmaceutical bulletin 20100401 |
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