CCOC(=O)C(C)(C)C1=C2C(=CC(=C1)F)C=CO2
이름: ethyl 2-(5-fluoro-1-benzofuran-7-yl)-2-methylpropanoate
SMILES: CCOC(=O)C(C)(C)C1=C2C(=CC(=C1)F)C=CO2

Molecular Processing

Molecular formula
C14H15FO3
Molecular weight
250.27
Exact mass
250.1005
XLogP
3.41
TPSA
39.44
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
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
0.357
Molar refractivity
65.83

Supplementary Information

InChIKey: LSQJLNBWZWXYDC-UHFFFAOYSA-N
동의어
SCHEMBL5986530LSQJLNBWZWXYDC-UHFFFAOYSA-NEthyl 2-methyl-2-(5-fluorobenzofur-7-yl)propionate
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