Methyl 3,5-dibromobenzoate

C₈H₆Br₂O₂CAS 51329-15-8293.94 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: 62–63 °C
logP: 3.00Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

51329-15-8

SMILES

COC(=O)c1cc(Br)cc(Br)c1

InChIKey

GSMAWUZTAIOCPL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 3,5-dibromo-, methyl ester
3,5-Dibromobenzoic acid methyl ester

Work with Methyl 3,5-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

Dimethyl 5-bromoisophthalate51760-21-592 % similar Methyl 3-bromo-5-iodobenzoate188813-07-273 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-471 % similar Methyl 4-bromobenzoate619-42-168 % similar Methyl 3-bromobenzoate618-89-367 % similar Methyl 3,5-dibromo-4-methylbenzoate74896-66-561 % similar Methyl 6-bromonaphthalene-2-carboxylate33626-98-161 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-359 % 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 2,5-dibromobenzoate57381-43-8 3,5-Dibromo-4-methylbenzoic acid67973-32-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook