Name: 4-Amino-3-iodo-5-methylbenzonitrile
SMILES:
Cc1cc(C#N)cc(I)c1NMolecular Processing
Molecular formula
C8H7IN2
Molecular weight
258.06
Exact mass
257.9654
XLogP
2.05
TPSA
49.81
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
53.02
Supplementary Information
Fetching details…
Involved in 2 reactions→