SMILES:
CC(=O)OCc1cc(OC(C)=O)cc(C)c1BrMolecular Processing
Molecular formula
C12H13BrO4
Molecular weight
301.14
Exact mass
299.9997
XLogP
2.75
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
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
0.333
Molar refractivity
65.66
Supplementary Information
Récupération des détails…
Impliqué dans 5 réactions→