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

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

CAS No.:
252561-91-4
Catalog Number:
AG00I4TL
Molecular Formula:
C8H6F3NO4S
Molecular Weight:
269.1977
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$144
- +
5g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00I4TL
Chemical Name:
1-(Methylsulphonyl)-4-nitro-2-(trifluoromethyl)benzene
CAS Number:
252561-91-4
Molecular Formula:
C8H6F3NO4S
Molecular Weight:
269.1977
MDL Number:
MFCD13176597
IUPAC Name:
1-methylsulfonyl-4-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F3NO4S/c1-17(15,16)7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3
InChI Key:
QOJWKPYXDXSLLL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)S(=O)(=O)C
Properties
Complexity:
395  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.997g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.194g/mol
Monoisotopic Mass:
268.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties