Name: 4-Bromomethyl-benzoimidazole-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)n1cnc2c(CBr)cccc21Molecular Processing
Molecular formula
C13H15BrN2O2
Molecular weight
311.18
Exact mass
310.0317
XLogP
3.71
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
74
Supplementary Information
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