Name: 1-tert-butyl-2-methoxy-5-(trifluoromethyl)-4-nitrobenzene
SMILES:
COc1cc([N+](=O)[O-])c(C(F)(F)F)cc1C(C)(C)CMolecular Processing
Molecular formula
C12H14F3NO3
Molecular weight
277.24
Exact mass
277.0926
XLogP
3.92
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
63.35
Supplementary Information
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