Name: 5-chloro-3-iodo-2-methylbenzoic acid
SMILES:
Cc1c(I)cc(Cl)cc1C(=O)OMolecular Processing
Molecular formula
C8H6ClIO2
Molecular weight
296.49
Exact mass
295.9101
XLogP
2.95
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
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
55.87
Supplementary Information
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