16,17-Dichloroheptadecanoic acid

C₁₇H₃₂Cl₂O₂CAS 116409-75-7339.34 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₇H₃₂Cl₂O₂
Molar mass: 339.34 g/mol
Exact mass: 338.1779 Da
logP: 6.38Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 16

Identifiers

CAS number

116409-75-7

SMILES

C(CCCCCCCC(=O)O)CCCCCCC(CCl)Cl

InChIKey

ITMRXTONPIMQLR-UHFFFAOYSA-N

InChI

InChI=1S/C17H32Cl2O2/c18-15-16(19)13-11-9-7-5-3-1-2-4-6-8-10-12-14-17(20)21/h16H,1-15H2,(H,20,21)

Weigh it out

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Work with 16,17-Dichloroheptadecanoic 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

Pimelic acid111-16-054 % similar Sebacic acid111-20-654 % similar Pentadecanedioic acid1460-18-054 % similar Heptadecanedioic acid2424-90-054 % similar Eicosanedioic acid2424-92-254 % similar Suberic acid505-48-654 % similar Brassylic acid505-52-254 % similar Thapsic acid505-54-454 % similar

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

Elsewhere

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