Home Halogens 2-Amino-5-acetamidobenzotrifluoride

2-Amino-5-acetamidobenzotrifluoride

CAS No.:
1579-89-1
Catalog Number:
AG001PTI
Molecular Formula:
C9H9F3N2O
Molecular Weight:
218.1758
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(T)
1 week
United States
$260
- +
Product Description
Catalog Number:
AG001PTI
Chemical Name:
2-Amino-5-acetamidobenzotrifluoride
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
Properties