SMILES:
C[C@H]1OCC(=O)NC1c1cc(Br)cc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C11H11BrN2O4
Molecular weight
315.12
Exact mass
313.9902
XLogP
1.93
TPSA
81.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
67.09
Supplementary Information
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Involved in 1 reactions→