Name: methanesulfonic acid 5-nitro-pyridin-2-ylmethyl ester
SMILES:
CS(=O)(=O)OCc1ccc([N+](=O)[O-])cn1Molecular Processing
Molecular formula
C7H8N2O5S
Molecular weight
232.22
Exact mass
232.0154
XLogP
0.47
TPSA
99.4
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
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
0.286
Molar refractivity
50.52
Supplementary Information
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Involved in 11 reactions→