4,5,6,7-Tetrachloro-2-methyl-1H-isoindole-1,3(2H)-dione

C9H3Cl4NO2CAS 14737-80-5298.93 g/mol

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NOClClClClO
AmideAryl halideLactam

Properties

Molecular formula
C9H3Cl4NO2
Molar mass
298.93 g/mol
Exact mass
296.8918 Da
Melting point
210–212 °C
logP
3.53Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
14737-80-5
SMILES
CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O
InChIKey
OHCSZUQRNNNMRG-UHFFFAOYSA-N
InChI
InChI=1S/C9H3Cl4NO2/c1-14-8(15)2-3(9(14)16)5(11)7(13)6(12)4(2)10/h1H3

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Names and synonyms

7 names
  • 1H-Isoindole-1,3(2H)-dione, 4,5,6,7-tetrachloro-2-methyl-
  • Phthalimide, 3,4,5,6-tetrachloro-N-methyl-
  • Tetrachloro-N-methylphthalimide
  • N-Methyltetrachlorophthalimide
  • N-Methyl-3,4,5,6-tetrachlorophthalimide
  • 3,4,5,6-Tetrachloro-N-methylphthalimide
  • NSC 45112

Work with 4,5,6,7-Tetrachloro-2-methyl-1H-isoindole-1,3(2H)-dione

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

3,4,5,6-Tetrafluoro-N-methylphthalimide33795-85-650 % similar N-Methylphthalimide550-44-741 % similar Pentachlorobenzoic acid1012-84-639 % similar Tetrachlorophthalic anhydride117-08-839 % similar 4,5,6,7-Tetrachloro-2,3-dihydro-1H-indene-1,3-dione30675-13-939 % similar Tetrachlorophthalic acid632-58-639 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-437 % similar Dimethyl tetrachloroterephthalate1861-32-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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