Nombre: methyl 2-chloro-3-(cyanomethyl)benzoate
SMILES:
COC(=O)c1cccc(CC#N)c1ClMolecular Processing
Molecular formula
C10H8ClNO2
Molecular weight
209.63
Exact mass
209.0244
XLogP
2.19
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
52.11
Supplementary Information
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