10-Bromodecanoic acid

C₁₀H₁₉BrO₂CAS 50530-12-6251.16 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₁₉BrO₂
Molar mass: 251.16 g/mol
Exact mass: 250.0568 Da
logP: 3.59Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

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

50530-12-6

SMILES

C(CCCCC(=O)O)CCCCBr

InChIKey

PGVRSPIEZYGOAD-UHFFFAOYSA-N

InChI

InChI=1S/C10H19BrO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)

Weigh it out

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

Work with 10-Bromodecanoic 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 12-Bromododecanoic acid73367-80-3100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 8-bromooctanoate29823-21-0 Ethyl 2-bromooctanoate5445-29-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook