이름: 4-iodophthalonitrile
SMILES:
N#Cc1ccc(I)cc1C#NMolecular Processing
Molecular formula
C8H3IN2
Molecular weight
254.03
Exact mass
253.9341
XLogP
2.03
TPSA
47.58
H-bond donors
0
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
Molar refractivity
48.59
Supplementary Information
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