CCOC(=O)C1=C(C2=C(C(=CC(=C2O1)Cl)Cl)O)C
名称: ethyl 5,7-dichloro-4-hydroxy-3-methyl-1-benzofuran-2-carboxylate
SMILES: CCOC(=O)C1=C(C2=C(C(=CC(=C2O1)Cl)Cl)O)C

Molecular Processing

Molecular formula
C12H10Cl2O4
Molecular weight
289.11
Exact mass
287.9956
XLogP
3.93
TPSA
59.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
68.59

Supplementary Information

InChIKey: PNMNPCHEVALUPU-UHFFFAOYSA-N
同義語
SCHEMBL3609288PNMNPCHEVALUPU-UHFFFAOYSA-N5,7-dichloro-4-hydroxy-3-methyl-benzofuran-2-carboxylic acid ethyl ester
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