Nombre: methyl 3-(2-(3-bromopropoxy)phenyl)propanoate
SMILES:
COC(=O)CCc1ccccc1OCCCBrMolecular Processing
Molecular formula
C13H17BrO3
Molecular weight
301.18
Exact mass
300.0361
XLogP
2.96
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
70.69
Supplementary Information
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