이름: Methyl 4-cyano-5-iodo-2-(trifluoromethyl)benzoate
SMILES:
COC(=O)c1cc(I)c(C#N)cc1C(F)(F)FMolecular Processing
Molecular formula
C10H5F3INO2
Molecular weight
355.05
Exact mass
354.9317
XLogP
2.97
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
60.22
Supplementary Information
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