SMILES:
O=[N+]([O-])c1ccc(CBr)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C7H5BrN2O4
Molecular weight
261.03
Exact mass
259.9433
XLogP
2.4
TPSA
86.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
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
52.38
Supplementary Information
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