Name: 4-(3,5-dimethylpyrazol-1-yl)phenyl iodide
SMILES:
Cc1cc(C)n(-c2ccc(I)cc2)n1Molecular Processing
Molecular formula
C11H11IN2
Molecular weight
298.13
Exact mass
297.9967
XLogP
3.09
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
65.76
Supplementary Information
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