Name: 1-(carboethoxy)ethyl 5-[2-chloro-4-(trifluoromethyl)-phenoxyl]-2-nitrobenzoate
SMILES:
CCOC(=O)C(C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C19H15ClF3NO7
Molecular weight
461.78
Exact mass
461.0489
XLogP
5.17
TPSA
104.97
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
101.13
Supplementary Information
Details werden geladen…
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