Name: ethyl 8-bromo-12-acetoxyheptadecanoate
SMILES:
CCCCCC(CCCC(Br)CCCCCCC(=O)OCC)OC(C)=OMolecular Processing
Molecular formula
C21H39BrO4
Molecular weight
435.44
Exact mass
434.2032
XLogP
6.34
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
17
Heavy atoms
26
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.905
Molar refractivity
110.6
Supplementary Information
Details werden geladen…
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