2-Bromohexanoyl chloride

C₆H₁₀BrClOCAS 42768-46-7213.50 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₆H₁₀BrClO
Molar mass: 213.50 g/mol
Exact mass: 211.9604 Da
logP: 2.71Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Identifiers

CAS number

42768-46-7

SMILES

CCCCC(C(=O)Cl)Br

InChIKey

KZOBODYIXDMSCF-UHFFFAOYSA-N

InChI

InChI=1S/C6H10BrClO/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3

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

Names and synonyms

4 names

2-Bromohexanoylchloride
2-Bromocaproyl chloride
2-Bromo-hexanoyl chloride
2-Bromo hexyanoyl chloride

Work with 2-Bromohexanoyl chloride

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-Ethylhexanoyl chloride760-67-856 % similar Methyl 2-bromohexanoate5445-19-253 % similar Ethyl 2-bromohexanoate615-96-351 % similar 2-Bromooctanoyl bromide106265-08-150 % similar 2,3-Dibromopropanoyl chloride18791-02-150 % similar 2-Propylpentanoyl chloride2936-08-550 % similar 2-Bromooctadecanoic acid142-94-949 % similar 2-Bromohexadecanoic acid18263-25-749 % similar

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

Same formula

6-Bromohexanoyl chloride22809-37-6

Elsewhere

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