名称: 4-(3-Bromo-propoxy)-3-methyl-benzofuran-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1oc2cccc(OCCCBr)c2c1CMolecular Processing
Molecular formula
C15H17BrO4
Molecular weight
341.2
Exact mass
340.031
XLogP
4.08
TPSA
48.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
80.81
Supplementary Information
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