Name: 4-fluoro-3,5-diisopropoxybenzoic acid
SMILES:
CC(C)Oc1cc(C(=O)O)cc(OC(C)C)c1FMolecular Processing
Molecular formula
C13H17FO4
Molecular weight
256.27
Exact mass
256.1111
XLogP
3.1
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
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
0.462
Molar refractivity
64.89
Supplementary Information
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