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1,1,3,3-Tetrachloroacetone

PubChem CID: 12436

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Compound Synonyms 1,1,3,3-Tetrachloroacetone, 632-21-3, Tetrachloroacetone, 1,1,3,3-Tetrachloropropanone, 1,1,3,3-tetrachloropropan-2-one, 2-Propanone, 1,1,3,3-tetrachloro-, 1133-Tetrachloroacetone, 1,1,3,3-Tetrachloro-2-propanone, CCRIS 7471, NSC 137844, EINECS 211-172-3, UNII-J7R42FF17P, BRN 1754083, J7R42FF17P, NSC-137844, SYM-TETRACHLOROACETONE, DTXSID1021663, J1.711F, .ALPHA.,.ALPHA.,.ALPHA.',.ALPHA.'-TETRACHLOROACETONE, 1,1,3,3-Tetrachloroacetone (~85%), 1,3,3-Tetrachloroacetone, SCHEMBL985627, DTXCID301663, 2-Propanone,1,3,3-tetrachloro-, NSC137844, AKOS006283789, NS00001958, EN300-2960959, ALPHA,ALPHA,ALPHA',ALPHA'-TETRACHLOROACETONE, Q27281319
Topological Polar Surface Area 17.1
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 8.0
Isotope Atom Count 0.0
Molecular Complexity 79.3
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,1,3,3-tetrachloropropan-2-one
Prediction Hob 1.0
Xlogp 2.6
Molecular Formula C3H2Cl4O
Prediction Swissadme 0.0
Inchi Key DJWVKJAGMVZYFP-UHFFFAOYSA-N
Fcsp3 0.6666666666666666
Logs -1.392
Rotatable Bond Count 2.0
Logd 0.14
Compound Name 1,1,3,3-Tetrachloroacetone
Prediction Hob Swissadme 0.0
Exact Mass 195.883
Formal Charge 0.0
Monoisotopic Mass 193.886
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 195.9
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.585532
Inchi InChI=1S/C3H2Cl4O/c4-2(5)1(8)3(6)7/h2-3H
Smiles C(C(=O)C(Cl)Cl)(Cl)Cl
Nring 0.0
Defined Bond Stereocenter Count 0.0

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