Name: 4-chloro-2-fluoro-5-nitrophenylisothiocyanate
SMILES:
O=[N+]([O-])c1cc(N=C=S)c(F)cc1ClMolecular Processing
Molecular formula
C7H2ClFN2O2S
Molecular weight
232.62
Exact mass
231.951
XLogP
3.12
TPSA
55.5
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
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
Molar refractivity
52.75
Supplementary Information
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