Methyl 2-bromo-6-chlorobenzoate

C₈H₆BrClO₂CAS 685892-23-3249.49 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₆BrClO₂
Molar mass: 249.49 g/mol
Exact mass: 247.9240 Da
logP: 2.89Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

685892-23-3

SMILES

COC(=O)c1c(Cl)cccc1Br

InChIKey

XSNZTSBNXMQBRI-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Benzoic acid, 2-bromo-6-chloro-, methyl ester

Work with Methyl 2-bromo-6-chlorobenzoate

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-chlorobenzoate610-96-857 % similar Methyl 2-bromobenzoate610-94-654 % similar Methyl 2,3-dichlorobenzoate2905-54-654 % similar Methyl 2-amino-3-chlorobenzoate77820-58-753 % similar Methyl 3-bromobenzoate618-89-351 % similar Methyl 3-bromo-2-fluorobenzoate206551-41-951 % similar Dimethyl isophthalate1459-93-450 % similar Methyl 2,6-dimethoxybenzoate2065-27-250 % 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 2-Bromo-5-methoxybenzoyl chloride56658-04-9

Elsewhere

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