Name: 4-iodo-imidazole-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)n1cnc(I)c1Molecular Processing
Molecular formula
C8H11IN2O2
Molecular weight
294.09
Exact mass
293.9865
XLogP
2.27
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
56.58
Supplementary Information
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