Nombre: 6-(3-bromo-4-fluoro-benzoyl)-4-methyl-3H-benzoxazol-2-one
SMILES:
Cc1cc(C(=O)c2ccc(F)c(Br)c2)cc2oc(=O)[nH]c12Molecular Processing
Molecular formula
C15H9BrFNO3
Molecular weight
350.14
Exact mass
348.975
XLogP
3.56
TPSA
63.07
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
79.1
Supplementary Information
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