名称: tetrahydro-2-(2-(4-bromophenoxy)ethoxy)-2H-pyran
SMILES:
Brc1ccc(OCCOC2CCCCO2)cc1Molecular Processing
Molecular formula
C13H17BrO3
Molecular weight
301.18
Exact mass
300.0361
XLogP
3.37
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
69.18
Supplementary Information
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