5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride

C₈H₂Cl₂I₃NO₂CAS 37441-29-5595.72 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide Primary amine

Properties

Molecular formula: C₈H₂Cl₂I₃NO₂
Molar mass: 595.72 g/mol
Exact mass: 594.6597 Da
logP: 3.84Crippen estimate
Polar surface area: 60.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

37441-29-5

SMILES

Nc1c(I)c(C(=O)Cl)c(I)c(C(=O)Cl)c1I

InChIKey

FBJVWRITWDYUAC-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Cl2I3NO2/c9-7(15)1-3(11)2(8(10)16)5(13)6(14)4(1)12/h14H2

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Names and synonyms

6 names

1,3-Benzenedicarbonyl dichloride, 5-amino-2,4,6-triiodo-
5-Amino-2,4,6-triiodoisophthaloyl chloride
5-Amino-2,4,6-triiodoisophthaloyl dichloride
5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid dichloride
5-Aminotriiodoisophthaloyl dichloride
5-Amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride

Work with 5-Amino-2,4,6-triiodo-1,3-benzenedicarbonyl dichloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Amino-2,4,6-triiodo-1,3-benzenedicarboxylic acid35453-19-153 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-439 % similar 3-Amino-2,4,6-triiodobenzoic acid3119-15-137 % similar Pentafluorobenzoyl chloride2251-50-537 % similar 2,4,6-Trimethylbenzoyl chloride938-18-135 % similar 2,6-Dichlorobenzoyl chloride4659-45-434 % similar 4-Iodobenzoyl chloride1711-02-033 % similar 5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide76801-93-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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