Nombre: title compound
SMILES:
Cc1ccc(Br)c(C(=O)O)n1Molecular Processing
Molecular formula
C7H6BrNO2
Molecular weight
216.03
Exact mass
214.9582
XLogP
1.85
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
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
0.143
Molar refractivity
43.63
Supplementary Information
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