Name: 5-chloro-2-methoxybenzonitrile
SMILES:
COc1ccc(Cl)cc1C#NMolecular Processing
Molecular formula
C8H6ClNO
Molecular weight
167.59
Exact mass
167.0138
XLogP
2.22
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
42.72
Supplementary Information
Fetching details…
Involved in 6 reactions→