Ethyl 9-bromononanoate

C₁₁H₂₁BrO₂CAS 28598-81-4265.19 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₁H₂₁BrO₂
Molar mass: 265.19 g/mol
Exact mass: 264.0725 Da
Boiling point: 150–154 °C (at 10 Torr)
logP: 3.68Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 9

Identifiers

CAS number

28598-81-4

SMILES

CCOC(=O)CCCCCCCCBr

InChIKey

KXZBPLOPBKIUTC-UHFFFAOYSA-N

InChI

InChI=1S/C11H21BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3

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

Names and synonyms

1 names

Nonanoic acid, 9-bromo-, ethyl ester

Work with Ethyl 9-bromononanoate

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

Ethyl 6-bromohexanoate25542-62-5100 % similar Ethyl 7-bromoheptanoate29823-18-5100 % similar Ethyl 8-bromooctanoate29823-21-0100 % similar Ethyl 5-bromovalerate14660-52-796 % similar Diethyl sebacate110-40-777 % similar Diethyl pimelate2050-20-677 % similar Diethyl suberate2050-23-977 % similar Diethyl azelate624-17-977 % similar

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

Same formula

Ethyl-2,2-dimethyl-7-bromoheptanoate123469-92-1 11-Bromoundecanoic acid2834-05-1

Elsewhere

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