CC(C)(C)c1cc(Br)c([N+](=O)[O-])cc1O
SMILES: CC(C)(C)c1cc(Br)c([N+](=O)[O-])cc1O

Molecular Processing

Molecular formula
C10H12BrNO3
Molecular weight
274.11
Exact mass
273.0001
XLogP
3.36
TPSA
63.37
H-bond donors
1
H-bond acceptors
3
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
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
61.16

Supplementary Information

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