名称: 6,7-dichloro-2,3-dihydro-5-(2-furoyl)benzofuran-2-carboxylic acid
SMILES:
O=C(c1ccco1)c1cc2c(c(Cl)c1Cl)OC(C(=O)O)C2Molecular Processing
Molecular formula
C14H8Cl2O5
Molecular weight
327.12
Exact mass
325.9749
XLogP
3.21
TPSA
76.74
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
74.36
Supplementary Information
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