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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

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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 16-Bromohexadecanoic acid2536-35-8100 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook