이름: methyl 4-cyano-5-iodo-2-methylbenzoate
SMILES:
COC(=O)c1cc(I)c(C#N)cc1CMolecular Processing
Molecular formula
C10H8INO2
Molecular weight
301.08
Exact mass
300.96
XLogP
2.26
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
59.95
Supplementary Information
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