Home Other Building Blocks 2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE

2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE

CAS No.:
400-23-7
Catalog Number:
AG00C5CJ
Molecular Formula:
C7H5F3N2O4S
Molecular Weight:
270.1858
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00C5CJ
Chemical Name:
2-NITRO-4-(TRIFLUOROMETHYLSULFONYL)ANILINE
CAS Number:
400-23-7
Molecular Formula:
C7H5F3N2O4S
Molecular Weight:
270.1858
MDL Number:
MFCD00523745
IUPAC Name:
2-nitro-4-(trifluoromethylsulfonyl)aniline
InChI:
InChI=1S/C7H5F3N2O4S/c8-7(9,10)17(15,16)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
InChI Key:
FKMFQWURIVAFGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N)S(=O)(=O)C(F)(F)F
Properties
Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.992g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.182g/mol
Monoisotopic Mass:
269.992g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties