Name: 6-fluoro-4-iodo-benzoimidazole-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)n1cnc2c(I)cc(F)cc21Molecular Processing
Molecular formula
C12H12FIN2O2
Molecular weight
362.14
Exact mass
361.9928
XLogP
3.56
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18
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
0.333
Molar refractivity
74.04
Supplementary Information
Details werden geladen…
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