1,1,3-Trichloroacetone

C₃H₃Cl₃OCAS 921-03-9161.41 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₃H₃Cl₃O
Molar mass: 161.41 g/mol
Exact mass: 159.9249 Da
Boiling point: 172 °C
logP: 1.60Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

921-03-9

SMILES

O=C(CCl)C(Cl)Cl

InChIKey

ZWILTCXCTVMANU-UHFFFAOYSA-N

InChI

InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2

Weigh it out

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

Names and synonyms

4 names

2-Propanone, 1,1,3-trichloro-
1,1,3-Trichloro-2-propanone
α,α′,α′-Trichloroacetone
1,1,2-Trichloroacetone

Work with 1,1,3-Trichloroacetone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,3,3-Tetrachloropropanone632-21-338 % similar Chloroacetyl chloride79-04-935 % similar Dichloroacetyl chloride79-36-735 % similar 1,1-Dichloroacetone513-88-233 % similar Chloroacetic anhydride541-88-833 % similar 2-Chlorocyclopentanone694-28-033 % similar Chloroacetic acid79-11-833 % similar 1-Chloropinacolone13547-70-131 % similar

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

Same formula

1,1,1-Trichloroacetone918-00-3

Elsewhere

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