Methyl 2-bromo-5-chlorobenzoate

C₈H₆BrClO₂CAS 27007-53-0249.49 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

27007-53-0

SMILES

COC(=O)C1=C(C=CC(=C1)Cl)Br

InChIKey

BIECSXCXIXHDBC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with Methyl 2-bromo-5-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 2,5-dichlorobenzoate2905-69-367 % similar Methyl 2,5-dibromobenzoate57381-43-867 % similar Methyl 2-bromo-5-methylbenzoate90971-88-365 % similar Methyl 5-chloro-2-methoxybenzoate33924-48-063 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-363 % similar Methyl 5-chloro-2-hydroxybenzoate4068-78-463 % similar Methyl 2-amino-5-chlorobenzoate5202-89-163 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-863 % similar

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

Same formula

α-Bromo-2-chlorobenzeneacetic acid141109-25-3 4-Bromo-2-chlorobenzoic acid methyl ester185312-82-7 α-Bromo-2-chlorobenzeneacetic acid29270-30-2 Alpha-bromo-4-chlorophenylacetic acid3381-73-5 2-Bromo-4-chlorobenzeneacetic acid52864-56-9 2-Bromo-5-methoxybenzoyl chloride56658-04-9 Methyl 2-bromo-6-chlorobenzoate685892-23-3

Elsewhere

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