2,4-Dibromobenzoic acid

C₇H₄Br₂O₂CAS 611-00-7279.91 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄Br₂O₂
Molar mass: 279.91 g/mol
Exact mass: 277.8578 Da
Melting point: 174 °C
logP: 2.91Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

611-00-7

SMILES

O=C(O)c1ccc(Br)cc1Br

InChIKey

NAGGYODWMPFKJQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Br2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 2,4-dibromo-

Work with 2,4-Dibromobenzoic 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

4-Bromophthalic acid6968-28-172 % similar Bromoterephthalic acid586-35-668 % similar 2-Amino-4-bromobenzoic acid20776-50-566 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-364 % similar 2-Bromo-4-fluorobenzoic acid1006-41-364 % similar 4-Bromo-2-fluorobenzoic acid112704-79-764 % similar 4-Bromo-2-iodobenzoic acid1133123-02-064 % similar 4-Bromo-2-chlorobenzoic acid59748-90-264 % similar

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

Same formula

3,5-Dibromo-4-hydroxybenzaldehyde2973-77-5 2,5-Dibromobenzoic acid610-71-9 3,5-Dibromobenzoic acid618-58-6 3,5-Dibromosalicylaldehyde90-59-5

Elsewhere

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