6,8-Dichlorooctanoic acid

C₈H₁₄Cl₂O₂CAS 41443-60-1213.10 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₈H₁₄Cl₂O₂
Molar mass: 213.10 g/mol
Exact mass: 212.0371 Da
logP: 2.87Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 7

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

41443-60-1

SMILES

C(CCC(=O)O)CC(CCCl)Cl

InChIKey

HSKAEXWPLIDFGC-UHFFFAOYSA-N

InChI

InChI=1S/C8H14Cl2O2/c9-6-5-7(10)3-1-2-4-8(11)12/h7H,1-6H2,(H,11,12)

Weigh it out

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

Work with 6,8-Dichlorooctanoic acid

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

16,17-Dichloroheptadecanoic acid116409-75-770 % similar 5-Chloropentanoic acid1119-46-660 % similar 6-Chlorohexanoic acid4224-62-858 % similar 4-Chlorobutanoic acid627-00-957 % similar Ethyl 6,8-dichlorooctanoate1070-64-053 % similar 3-Chloropropionic acid107-94-850 % similar Adipic acid124-04-950 % similar Isooctanoic acid25103-52-050 % similar

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

Elsewhere

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