Methyl 2,5-dibromobenzoate

C₈H₆Br₂O₂CAS 57381-43-8293.94 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₆Br₂O₂
Molar mass: 293.94 g/mol
Exact mass: 291.8735 Da
Melting point: 46–48 °C
logP: 3.00Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

57381-43-8

SMILES

COC(=O)c1cc(Br)ccc1Br

InChIKey

RBCUIRIGTNHLPS-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Br2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 2,5-dibromo-, methyl ester

Work with Methyl 2,5-dibromobenzoate

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 5-bromo-2-methylbenzoate79669-50-469 % similar Methyl 2-bromo-5-methylbenzoate90971-88-369 % similar Methyl 2-bromo-5-methoxybenzoate35450-36-367 % similar 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-267 % similar Methyl 2-amino-5-bromobenzoate52727-57-867 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-867 % similar Methyl 2-amino-4-bromobenzoate135484-83-264 % similar Methyl 2-bromobenzoate610-94-664 % similar

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

Same formula

2,5-Dibromobenzeneacetic acid203314-28-7 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-1 Methyl 3,5-dibromobenzoate51329-15-8 3,5-Dibromo-4-methylbenzoic acid67973-32-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook