4,5,6,7-Tetrachloro-2,3-dihydro-1H-indene-1,3-dione

C₉H₂Cl₄O₂CAS 30675-13-9283.91 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₉H₂Cl₄O₂
Molar mass: 283.91 g/mol
Exact mass: 281.8809 Da
logP: 4.07Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

30675-13-9

SMILES

C1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl

InChIKey

IDLAOWFFKWRNHB-UHFFFAOYSA-N

InChI

InChI=1S/C9H2Cl4O2/c10-6-4-2(14)1-3(15)5(4)7(11)9(13)8(6)12/h1H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Tcid

Work with 4,5,6,7-Tetrachloro-2,3-dihydro-1H-indene-1,3-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

Pentachlorobenzoic acid1012-84-644 % similar Tetrachlorophthalic anhydride117-08-844 % similar Tetrachlorophthalic acid632-58-644 % similar 2,3,5,6-Tetrachloro-1,4-benzenedicarbonyl dichloride719-32-442 % similar Chlorthal2136-79-040 % similar Phthalide27355-22-240 % similar 4,5,6,7-Tetrachloro-2-methyl-1H-isoindole-1,3(2H)-dione14737-80-539 % similar Dimethyl tetrachloroterephthalate1861-32-136 % similar

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

Elsewhere

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