Name: 1-(4-bromobutoxy)-2-ethylbenzene
SMILES:
CCc1ccccc1OCCCCBrMolecular Processing
Molecular formula
C12H17BrO
Molecular weight
257.17
Exact mass
256.0463
XLogP
3.8
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
64.34
Supplementary Information
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