Nombre: octyl p-bromomethylbenzoate
SMILES:
CCCCCCCCOC(=O)c1ccc(CBr)cc1Molecular Processing
Molecular formula
C16H23BrO2
Molecular weight
327.26
Exact mass
326.0881
XLogP
5.1
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
82.73
Supplementary Information
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