名称: 3-iodo-4-methyl-5-nitro-benzoic acid
SMILES:
Cc1c(I)cc(C(=O)O)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C8H6INO4
Molecular weight
307.04
Exact mass
306.9342
XLogP
2.21
TPSA
80.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
57.51
Supplementary Information
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