chempirical

1,1,3,3-Tetrabromoacetone

C3H2Br4OCAS 22612-89-1373.66 g/mol

Open in Covalent MOL file
OBrBrBrBr
Alkyl halideKetone

Properties

Molecular formula
C3H2Br4O
Molar mass
373.66 g/mol
Exact mass
369.6839 Da
logP
2.79Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

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

Identifiers

CAS number
22612-89-1
SMILES
C(C(=O)C(Br)Br)(Br)Br
InChIKey
SAMNBOHOBWEEEU-UHFFFAOYSA-N
InChI
InChI=1S/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H

Weigh it out

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Work with 1,1,3,3-Tetrabromoacetone

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

1,1,3-Tribromo-2-propanone3475-39-638 % similar 1,1-Dibromo-3,3,3-trifluoroacetone431-67-436 % similar Dicyclopropyl ketone1121-37-533 % similar Diisopropyl ketone565-80-033 % similar 1,1,3,3-Tetrachloropropanone632-21-333 % similar

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

Elsewhere

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