chempirical

17-Bromoheptadecanoic acid

C17H33BrO2CAS 13099-35-9349.35 g/mol

Open in Covalent MOL file
OHOBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C17H33BrO2
Molar mass
349.35 g/mol
Exact mass
348.1664 Da
Melting point
74 °C
logP
6.32Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
16

Identifiers

CAS number
13099-35-9
SMILES
O=C(O)CCCCCCCCCCCCCCCCBr
InChIKey
GABSTWMSOFZKEJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H33BrO2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h1-16H2,(H,19,20)

Weigh it out

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

Names and synonyms

2 names
  • Heptadecanoic acid, 17-bromo-
  • ω-Bromoheptadecanoic acid

Work with 17-Bromoheptadecanoic 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

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 12-Bromododecanoic acid73367-80-3100 % similar 5-Bromopentanoic acid2067-33-695 % similar 4-Bromobutanoic acid2623-87-282 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook