C#CCOc1cc([N+](=O)[O-])c(F)cc1Cl
الاسم: 4-chloro-2-fluoro-5-(2-propynyloxy)-nitrobenzene
SMILES: C#CCOc1cc([N+](=O)[O-])c(F)cc1Cl

Molecular Processing

Molecular formula
C9H5ClFNO3
Molecular weight
229.59
Exact mass
228.9942
XLogP
2.4
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
52.39

Supplementary Information

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