CS(=O)(=O)OCCC1=CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)C#N
CAS: 460746-49-0
Name: 2-[5-(4-cyanophenyl)-1-benzofuran-2-yl]ethyl methanesulfonate
SMILES: CS(=O)(=O)OCCC1=CC2=C(O1)C=CC(=C2)C3=CC=C(C=C3)C#N

Molecular Processing

Molecular formula
C18H15NO4S
Molecular weight
341.39
Exact mass
341.0722
XLogP
3.49
TPSA
80.3
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
90.86

Supplementary Information

InChIKey: GLZGDCKTDIUZDC-UHFFFAOYSA-N
Synonyme
2-[5-(4-cyanophenyl)-1-benzofuran-2-yl]ethyl Methanesulfonate460746-49-0SCHEMBL2785587DTXSID70464574GLZGDCKTDIUZDC-UHFFFAOYSA-NDB-292541
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