2-Bromo-5-methoxybenzoyl chloride

C₈H₆BrClO₂CAS 56658-04-9249.49 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide Ether

Properties

Molecular formula: C₈H₆BrClO₂
Molar mass: 249.49 g/mol
Exact mass: 247.9240 Da
Boiling point: 156–158 °C (at 13 Torr)
logP: 2.84Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

56658-04-9

SMILES

COc1ccc(Br)c(C(=O)Cl)c1

InChIKey

RZCQJXVXRYIJQE-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrClO2/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3

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Names and synonyms

2 names

Benzoyl chloride, 2-bromo-5-methoxy-
2-Bromo-5-methoxybenzene-1-carbonyl chloride

Work with 2-Bromo-5-methoxybenzoyl 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

2,5-Dimethoxybenzoyl chloride17918-14-867 % similar 2-Bromo-5-methoxybenzoic acid22921-68-263 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-363 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-255 % similar 4-Methoxybenzoyl chloride100-07-253 % similar 2-Bromobenzoyl chloride7154-66-751 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-551 % similar 3-Methoxybenzoyl chloride1711-05-351 % similar

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

Same formula

α-Bromo-2-chlorobenzeneacetic acid141109-25-3 α-Bromo-2-chlorobenzeneacetic acid29270-30-2 2-Bromo-4-chlorobenzeneacetic acid52864-56-9 Methyl 2-bromo-6-chlorobenzoate685892-23-3

Elsewhere

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