Methyl 8-bromooctanoate

C₉H₁₇BrO₂CAS 26825-92-3237.14 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₉H₁₇BrO₂
Molar mass: 237.14 g/mol
Exact mass: 236.0412 Da
logP: 2.89Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 7

Hazards

Warning

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

Aggregated from the 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

26825-92-3

SMILES

COC(=O)CCCCCCCBr

InChIKey

IZIJRYNUYQXBPG-UHFFFAOYSA-N

InChI

InChI=1S/C9H17BrO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3

Weigh it out

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

Work with Methyl 8-bromooctanoate

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

Methyl 6-bromohexanoate14273-90-6100 % similar Methyl 5-bromopentanoate5454-83-196 % similar Methyl 4-bromobutyrate4897-84-184 % similar Dimethyl sebacate106-79-675 % similar Dimethyl octadecanedioate1472-93-175 % similar 1,12-Dimethyl dodecanedioate1731-79-975 % similar Dimethyl pimelate1732-08-775 % similar Dimethyl suberate1732-09-875 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 7-bromoheptanoate29823-18-5 9-Bromononanoic acid41059-02-3 Methyl 2-bromooctanoate5445-22-7

Elsewhere

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