3,5-Dibromo-4-methylbenzoic acid

C₈H₆Br₂O₂CAS 67973-32-4293.94 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆Br₂O₂
Molar mass: 293.94 g/mol
Exact mass: 291.8735 Da
Melting point: 239.5–240.5 °C
logP: 3.22Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

67973-32-4

SMILES

Cc1c(Br)cc(C(=O)O)cc1Br

InChIKey

SJCBUASMFSRONS-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

2 names

Benzoic acid, 3,5-dibromo-4-methyl-
p-Toluic acid, 3,5-dibromo-

Work with 3,5-Dibromo-4-methylbenzoic acid

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

3,5-Dibromo-4-hydroxybenzoic acid3337-62-063 % similar 3-Bromo-4-methylbenzoic acid7697-26-961 % similar 3,5-Dihydroxy-4-methylbenzoic acid28026-96-258 % similar 4-Bromo-3-methylbenzoic acid7697-28-156 % similar 5-Bromo-1,3-benzenedicarboxylic acid23351-91-955 % similar 3,5-Dibromobenzoic acid618-58-655 % similar Bromoterephthalic acid586-35-655 % similar 3-Bromo-4,5-difluorobenzoic acid1244642-73-654 % 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 Methyl 2,5-dibromobenzoate57381-43-8

Elsewhere

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