Nombre: 1-(2-bromophenyl)ethyl behenate
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)c1ccccc1BrMolecular Processing
Molecular formula
C30H51BrO2
Molecular weight
523.64
Exact mass
522.3072
XLogP
10.88
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
22
Heavy atoms
33
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.767
Molar refractivity
146.66
Supplementary Information
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