Nombre: 4-(3-acetyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid
SMILES:
CC(=O)C1=C(C=C(C(=C1I)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])I)IMolecular Processing
Molecular formula
C15H8I3NO5
Molecular weight
662.94
Exact mass
662.7537
XLogP
4.98
TPSA
97.51
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
113.65
Supplementary Information
InChIKey: CNZWHGJJHSQPAF-UHFFFAOYSA-N
Sinónimos
SCHEMBL2341144CNZWHGJJHSQPAF-UHFFFAOYSA-N2',4',6'-triiodo-3'-acetyl-3-nitrobiphenyl-4-carboxylic acid
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