SMILES:
O=[N+]([O-])c1cc(Br)ccc1-c1ccc(Br)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C12H6Br2N2O4
Molecular weight
402
Exact mass
399.8694
XLogP
4.7
TPSA
86.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
80.59
Supplementary Information
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