Name: 4-chloro-2-ethynyl-1-methoxy-benzene
SMILES:
C#Cc1cc(Cl)ccc1OCMolecular Processing
Molecular formula
C9H7ClO
Molecular weight
166.61
Exact mass
166.0185
XLogP
2.33
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
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
2
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
45.94
Supplementary Information
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Involved in 9 reactions→