13-Bromo-1-tridecanol

C13H27BrOCAS 116754-58-6279.26 g/mol

Open in Covalent MOL file
HOBr
AlcoholAlkyl halide

Properties

Molecular formula
C13H27BrO
Molar mass
279.26 g/mol
Exact mass
278.1245 Da
logP
4.66Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
116754-58-6
SMILES
C(CCCCCCO)CCCCCCBr
InChIKey
FJBCXJNCEVECEC-UHFFFAOYSA-N
InChI
InChI=1S/C13H27BrO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h15H,1-13H2

Weigh it out

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

Work with 13-Bromo-1-tridecanol

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

7-Bromo-1-heptanol10160-24-4100 % similar 11-Bromo-1-undecanol1611-56-9100 % similar 12-Bromo-1-dodecanol3344-77-2100 % similar 5-Bromo-1-pentanol34626-51-2100 % similar 6-Bromo-1-hexanol4286-55-9100 % similar 8-Bromo-1-octanol50816-19-8100 % similar 10-Bromo-1-decanol53463-68-6100 % similar 9-Bromononanol55362-80-6100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook