Nombre: 6-Bromo-2-(dimethylamino)-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
SMILES:
Cc1c(Br)c(F)c2oc(N(C)C)nc2c1C#NMolecular Processing
Molecular formula
C11H9BrFN3O
Molecular weight
298.12
Exact mass
296.9913
XLogP
2.98
TPSA
53.06
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
65.45
Supplementary Information
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