Name: ethyl 8-iodo-6-(trifluoromethoxy)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
SMILES:
CCOC(=O)C1=Cc2cc(OC(F)(F)F)cc(I)c2OC1C(F)(F)FMolecular Processing
Molecular formula
C14H9F6IO4
Molecular weight
482.11
Exact mass
481.945
XLogP
4.46
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
80.92
Supplementary Information
Details werden geladen…
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