Name: α-hydroxy-3-nitrobenzeneacetonitrile
SMILES:
N#CC(O)c1cccc([N+](=O)[O-])c1Molecular Processing
Molecular formula
C8H6N2O3
Molecular weight
178.15
Exact mass
178.0378
XLogP
1.15
TPSA
87.16
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
43.67
Supplementary Information
Details werden geladen…
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