Home Nitros 1-Methoxy-4-nitro-2-(trifluoromethyl)benzene

1-Methoxy-4-nitro-2-(trifluoromethyl)benzene

CAS No.:
654-76-2
Catalog Number:
AG006Q5D
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$94
- +
500g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG006Q5D
Chemical Name:
1-Methoxy-4-nitro-2-(trifluoromethyl)benzene
CAS Number:
654-76-2
Molecular Formula:
C8H6F3NO3
Molecular Weight:
221.1333
MDL Number:
MFCD00007328
IUPAC Name:
1-methoxy-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO3/c1-15-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3
InChI Key:
KGFADEJSZXEVMC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
EC Number:
211-507-3
NSC Number:
88331
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:
2.6  
Properties