Name: 2-(carboxymethoxy)-5-[(2-chloro -α,α,α-trifluoro-p-tolyl)oxy]benzoic acid
SMILES:
O=C(O)COc1ccc(Oc2ccc(C(F)(F)F)c(Cl)c2)cc1C(=O)OMolecular Processing
Molecular formula
C16H10ClF3O6
Molecular weight
390.7
Exact mass
390.0118
XLogP
4.31
TPSA
93.06
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
83.06
Supplementary Information
Details werden geladen…
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