SMILES:
CS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C7H6BrNO4S
Molecular weight
280.1
Exact mass
278.9201
XLogP
1.76
TPSA
77.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
53.91
Supplementary Information
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