Name: 2-(5-Bromo-2-fluoro-phenyl)-5-chloro-benzoimidazole-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)n1c(-c2cc(Br)ccc2F)nc2cc(Cl)ccc21Molecular Processing
Molecular formula
C18H15BrClFN2O2
Molecular weight
425.69
Exact mass
423.9989
XLogP
6.04
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
99.47
Supplementary Information
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Involved in 1 reactions→