2-Bromooctanoyl bromide

C₈H₁₄Br₂OCAS 106265-08-1286.01 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₈H₁₄Br₂O
Molar mass: 286.01 g/mol
Exact mass: 283.9411 Da
logP: 3.64Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Identifiers

CAS number

106265-08-1

SMILES

CCCCCCC(Br)C(=O)Br

InChIKey

QEJYOKHMHBRARP-UHFFFAOYSA-N

InChI

InChI=1S/C8H14Br2O/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3

Weigh it out

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

Names and synonyms

1 names

Octanoyl bromide, 2-bromo-

Work with 2-Bromooctanoyl bromide

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

2-Bromooctadecanoic acid142-94-961 % similar 2-Bromohexadecanoic acid18263-25-761 % similar 2-Bromooctanoic acid2623-82-761 % similar Methyl 2-bromotetradecanoate16631-25-757 % similar Methyl 2-bromooctanoate5445-22-757 % similar Ethyl 2-bromotetradecanoate14980-92-856 % similar Ethyl 2-bromooctanoate5445-29-456 % similar 2-Bromobutanoyl bromide26074-52-253 % similar

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

Elsewhere

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