SMILES:
O=C(O)c1c[nH]c2cc(Br)ccc12Molecular Processing
Molecular formula
C9H6BrNO2
Molecular weight
240.06
Exact mass
238.9582
XLogP
2.63
TPSA
53.09
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
52.96
Supplementary Information
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