Home Sulfos N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline

N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline

CAS No.:
1579-87-9
Catalog Number:
AG019HLM
Molecular Formula:
C9H9F3N2O4S
Molecular Weight:
298.2390
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Product Description
Catalog Number:
AG019HLM
Chemical Name:
N-ethyl-2-nitro-4-trifluoromethanesulfonylaniline
CAS Number:
1579-87-9
Molecular Formula:
C9H9F3N2O4S
Molecular Weight:
298.2390
MDL Number:
MFCD00616952
IUPAC Name:
N-ethyl-2-nitro-4-(trifluoromethylsulfonyl)aniline
InChI:
InChI=1S/C9H9F3N2O4S/c1-2-13-7-4-3-6(5-8(7)14(15)16)19(17,18)9(10,11)12/h3-5,13H,2H2,1H3
InChI Key:
GRMROGBILXDRPV-UHFFFAOYSA-N
SMILES:
CCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C(F)(F)F
Properties
Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.024g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.236g/mol
Monoisotopic Mass:
298.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties