Home Nitros 1-Methyl-2-nitro-4-(trifluoromethoxy)benzene

1-Methyl-2-nitro-4-(trifluoromethoxy)benzene

CAS No.:
70692-45-4
Catalog Number:
AG00IC3D
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$750
- +
10g
95%
In Stock USA
United States
$1350
- +
Product Description
Catalog Number:
AG00IC3D
Chemical Name:
1-Methyl-2-nitro-4-(trifluoromethoxy)benzene
CAS Number:
70692-45-4
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD09954767
IUPAC Name:
1-methyl-2-nitro-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C8H6F3NO3/c1-5-2-3-6(15-8(9,10)11)4-7(5)12(13)14/h2-4H,1H3
InChI Key:
QQIQNKQBMWNOQV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)OC(F)(F)F
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.135g/mol
Monoisotopic Mass:
221.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties