chempirical

12-Bromododecanoic acid

C12H23BrO2CAS 73367-80-3279.22 g/mol

Open in Covalent MOL file
OHOBr
Alkyl halideCarboxylic acid

Properties

Molecular formula
C12H23BrO2
Molar mass
279.22 g/mol
Exact mass
278.0881 Da
Melting point
53 °C
Boiling point
140–143 °C (at 20 Torr)
logP
4.37Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
11

Identifiers

CAS number
73367-80-3
SMILES
O=C(O)CCCCCCCCCCCBr
InChIKey
YYKBWYBUCFHYPR-UHFFFAOYSA-N
InChI
InChI=1S/C12H23BrO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)

Weigh it out

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

Names and synonyms

4 names
  • Dodecanoic acid, 12-bromo-
  • 12-Bromolauric acid
  • ω-Bromododecanoic acid
  • NSC 660375

Work with 12-Bromododecanoic 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 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