Name: intermediate ( 1 )
SMILES:
CC(C#N)c1c(Cl)cc([N+](=O)[O-])cc1ClMolecular Processing
Molecular formula
C9H6Cl2N2O2
Molecular weight
245.06
Exact mass
243.9806
XLogP
3.53
TPSA
66.93
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
57.14
Supplementary Information
Details werden geladen…
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