Name: 1-Chloro-3-ethynyl-benzene
SMILES:
C#Cc1cccc(Cl)c1Molecular Processing
Molecular formula
C8H5Cl
Molecular weight
136.58
Exact mass
136.008
XLogP
2.32
TPSA
0
H-bond donors
0
H-bond acceptors
0
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.39
Supplementary Information
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