16-Bromohexadecanoic acid

C16H31BrO2CAS 2536-35-8335.33 g/mol

Open in Covalent MOL file
OOHBr
Alkyl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P280, P302+P352, P321, P332+P317, P362+P364

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

PubChem CAS Common Chemistry NIST WebBook