C#CCOc1cc(F)c(C(=O)O)cc1F
Name: 2,5-difluoro-4-(2-propynyloxy)benzoic acid
SMILES: C#CCOc1cc(F)c(C(=O)O)cc1F

Molecular Processing

Molecular formula
C10H6F2O3
Molecular weight
212.15
Exact mass
212.0285
XLogP
1.68
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
47.65

Supplementary Information

No supplementary data available

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