3,5-Dibromobenzoic acid

C₇H₄Br₂O₂CAS 618-58-6279.91 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: 209 °C
logP: 2.91Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

618-58-6

SMILES

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

InChIKey

SFTFNJZWZHASAQ-UHFFFAOYSA-N

InChI

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

Work with 3,5-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

5-Bromo-1,3-benzenedicarboxylic acid23351-91-990 % similar 3-Bromo-5-iodobenzoic acid188815-32-970 % similar 3-Bromo-5-chlorobenzoic acid42860-02-670 % similar Trimesic acid554-95-067 % similar 4-Bromobenzoic acid586-76-564 % similar 3-Bromobenzoic acid585-76-263 % similar 5-Bromonicotinic acid20826-04-461 % similar 4-Bromo-3,5-dihydroxybenzoic acid16534-12-657 % 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 2,4-Dibromobenzoic acid611-00-7 3,5-Dibromosalicylaldehyde90-59-5

Elsewhere

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