COc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]
Name: 4-methoxy-3-nitrobenzenesulfonyl chloride
SMILES: COc1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]

Molecular Processing

Molecular formula
C7H6ClNO5S
Molecular weight
251.65
Exact mass
250.9655
XLogP
1.53
TPSA
86.51
H-bond donors
0
H-bond acceptors
5
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
8
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
52.69

Supplementary Information

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