Name: title compound
SMILES:
CC(C)(C)[N+]([O-])=Cc1cc(Br)ccc1OMolecular Processing
Molecular formula
C11H14BrNO2
Molecular weight
272.14
Exact mass
271.0208
XLogP
2.88
TPSA
46.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
64.35
Supplementary Information
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