Name: 2-bromo-5-iodo-benzoic acid methyl ester
SMILES:
COC(=O)c1cc(I)ccc1BrMolecular Processing
Molecular formula
C8H6BrIO2
Molecular weight
340.94
Exact mass
339.8596
XLogP
2.84
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
58.2
Supplementary Information
Details werden geladen…
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