Home Halogens 3-Amino-5-nitrobenzotrifluoride

3-Amino-5-nitrobenzotrifluoride

CAS No.:
401-94-5
Catalog Number:
AG003IWR
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$52
- +
5g
>97%
In Stock USA
United States
$130
- +
Product Description
Catalog Number:
AG003IWR
Chemical Name:
3-Amino-5-nitrobenzotrifluoride
CAS Number:
401-94-5
Molecular Formula:
C7H5F3N2O2
Molecular Weight:
206.1220
MDL Number:
MFCD00061229
IUPAC Name:
3-nitro-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-5(11)3-6(2-4)12(13)14/h1-3H,11H2
InChI Key:
LTVWXWWSCLXXAT-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.124g/mol
Monoisotopic Mass:
206.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties