Name: 3-nitro-2-(4-trifluoromethylphenyl)thiophene
SMILES:
O=[N+]([O-])c1ccsc1-c1ccc(C(F)(F)F)cc1Molecular Processing
Molecular formula
C11H6F3NO2S
Molecular weight
273.23
Exact mass
273.0071
XLogP
4.34
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
61.41
Supplementary Information
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