Name: 3-chloropropyl 4-(3-chloropropoxy)-2-fluorobenzoate
SMILES:
O=C(OCCCCl)c1ccc(OCCCCl)cc1FMolecular Processing
Molecular formula
C13H15Cl2FO3
Molecular weight
309.16
Exact mass
308.0382
XLogP
3.62
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
72.85
Supplementary Information
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