Name: α-chloro-3,4-dimethoxybenzeneacetonitrile
SMILES:
COc1ccc(C(Cl)C#N)cc1OCMolecular Processing
Molecular formula
C10H10ClNO2
Molecular weight
211.65
Exact mass
211.04
XLogP
2.51
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
53.75
Supplementary Information
Details werden geladen…
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