Name: N-cyanomethyl-N-methylsulphonyl-4-nitroaniline
SMILES:
CS(=O)(=O)N(CC#N)c1ccc([N+](=O)[O-])cc1Molecular Processing
Molecular formula
C9H9N3O4S
Molecular weight
255.26
Exact mass
255.0314
XLogP
0.88
TPSA
104.31
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
60.9
Supplementary Information
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Involved in 2 reactions→