名称: 4-(3-bromo-propoxy)-3-cyclopropyl-benzofuran-2-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1oc2cccc(OCCCBr)c2c1C1CC1Molecular Processing
Molecular formula
C17H19BrO4
Molecular weight
367.24
Exact mass
366.0467
XLogP
4.65
TPSA
48.67
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
88.05
Supplementary Information
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