이름: Methyl 7-chlorobenzo[b]thiophene-2-carboxylate
SMILES:
COC(=O)c1cc2cccc(Cl)c2s1Molecular Processing
Molecular formula
C10H7ClO2S
Molecular weight
226.68
Exact mass
225.9855
XLogP
3.34
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
58.17
Supplementary Information
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