Name: 2,2-difluoro-benzo[1,3]dioxole-5-carboxylic acid methyl ester
SMILES:
COC(=O)c1ccc2c(c1)OC(F)(F)O2Molecular Processing
Molecular formula
C9H6F2O4
Molecular weight
216.14
Exact mass
216.0234
XLogP
1.79
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
43.98
Supplementary Information
Details werden geladen…
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