16-Bromohexadecanoic acid

C₁₆H₃₁BrO₂CAS 2536-35-8335.33 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₆H₃₁BrO₂
Molar mass: 335.33 g/mol
Exact mass: 334.1507 Da
logP: 5.93Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 15

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

2536-35-8

SMILES

C(CCCCCCCC(=O)O)CCCCCCCBr

InChIKey

PFNCOYVEMJYEED-UHFFFAOYSA-N

InChI

InChI=1S/C16H31BrO2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h1-15H2,(H,18,19)

Weigh it out

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

Work with 16-Bromohexadecanoic 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

17-Bromoheptadecanoic acid13099-35-9100 % similar 8-Bromooctanoic acid17696-11-6100 % similar 11-Bromoundecanoic acid2834-05-1100 % similar 7-Bromoheptanoic acid30515-28-7100 % similar 9-Bromononanoic acid41059-02-3100 % similar 6-Bromohexanoic acid4224-70-8100 % similar 10-Bromodecanoic acid50530-12-6100 % similar 12-Bromododecanoic acid73367-80-3100 % similar

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

Same formula

Ethyl 2-bromotetradecanoate14980-92-8 2-Bromohexadecanoic acid18263-25-7

Elsewhere

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