Methyl 2-bromotetradecanoate

C₁₅H₂₉BrO₂CAS 16631-25-7321.30 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₅H₂₉BrO₂
Molar mass: 321.30 g/mol
Exact mass: 320.1351 Da
Density: 1.108 g/mL (at 20 °C)
Boiling point: 149 °C (at 0.9998 Torr)
logP: 5.23Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 12

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

16631-25-7

SMILES

CCCCCCCCCCCCC(Br)C(=O)OC

InChIKey

NTDPLPAGWMERRU-UHFFFAOYSA-N

InChI

InChI=1S/C15H29BrO2/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14H,3-13H2,1-2H3

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Names and synonyms

2 names

Tetradecanoic acid, 2-bromo-, methyl ester
Methyl 2-bromo-1-tetradecanoate

Work with Methyl 2-bromotetradecanoate

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 2-bromooctanoate5445-22-7100 % similar Methyl 2-bromohexanoate4554-19-287 % similar Methyl 2-bromohexanoate5445-19-287 % similar Ethyl 2-bromotetradecanoate14980-92-869 % similar Ethyl 2-bromooctanoate5445-29-469 % similar Dimethyl2,2'-dibromoadipate868-72-467 % similar Methyl 2,4-dibromobutyrate70288-65-259 % similar Ethyl 2-bromohexanoate615-96-358 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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