11-Bromoundecanoic acid

C₁₁H₂₁BrO₂CAS 2834-05-1265.19 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₁H₂₁BrO₂
Molar mass: 265.19 g/mol
Exact mass: 264.0725 Da
Melting point: 57 °C
Boiling point: 173–174 °C (at 2 Torr)
logP: 3.98Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 10

Identifiers

CAS number

2834-05-1

SMILES

O=C(O)CCCCCCCCCCBr

InChIKey

IUDGNRWYNOEIKF-UHFFFAOYSA-N

InChI

InChI=1S/C11H21BrO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)

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

Names and synonyms

3 names

Undecanoic acid, 11-bromo-
ω-Bromoundecanoic acid
NSC 14781

Work with 11-Bromoundecanoic 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 7-Bromoheptanoic acid30515-28-7100 % similar 9-Bromononanoic acid41059-02-3100 % similar 6-Bromohexanoic acid4224-70-8100 % similar 12-Bromododecanoic acid73367-80-3100 % similar 5-Bromopentanoic acid2067-33-695 % similar 4-Bromobutanoic acid2623-87-282 % similar

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

Same formula

Ethyl-2,2-dimethyl-7-bromoheptanoate123469-92-1 Ethyl 9-bromononanoate28598-81-4

Elsewhere

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