이름: 2-Ethoxy-5-nitro-1,3-bis(trifluoromethyl)benzene
SMILES:
CCOc1c(C(F)(F)F)cc([N+](=O)[O-])cc1C(F)(F)FMolecular Processing
Molecular formula
C10H7F6NO3
Molecular weight
303.16
Exact mass
303.033
XLogP
4.03
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
54.27
Supplementary Information
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