Name: 5-(2-chloro-α,α,α-trifluoro-p-tolyloxy)-2-nitrobenzoic acid
SMILES:
O=C(O)c1cc(Oc2ccc(C(F)(F)F)c(Cl)c2)ccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H7ClF3NO5
Molecular weight
361.66
Exact mass
360.9965
XLogP
4.76
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
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
0.071
Molar refractivity
76.58
Supplementary Information
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