CS(=O)(=O)Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1I
名称: N-(2-iodo-4-nitro-5-trifluoromethyl-phenyl)-methanesulfonamide
SMILES: CS(=O)(=O)Nc1cc(C(F)(F)F)c([N+](=O)[O-])cc1I

Molecular Processing

Molecular formula
C8H6F3IN2O4S
Molecular weight
410.11
Exact mass
409.9045
XLogP
2.59
TPSA
89.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
69.28

Supplementary Information

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