Name: 2,3-dichloro-4-(6-bromohexanoyl)anisole
SMILES:
COc1ccc(C(=O)CCCCCBr)c(Cl)c1ClMolecular Processing
Molecular formula
C13H15BrCl2O2
Molecular weight
354.07
Exact mass
351.9632
XLogP
5.14
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
79.61
Supplementary Information
Details werden geladen…
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