3,5-Dibromobenzoic acid

C7H4Br2O2CAS 618-58-6279.91 g/mol

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OHOBrBr
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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)

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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-hydroxybenzoic acid140472-69-173 % similar 3-Bromo-5-fluorobenzoic acid176548-70-270 % 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-Bromo-5-methoxybenzoic acid157893-14-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dibromo-4-hydroxybenzaldehyde2973-77-5 2,6-Dibromobenzoic acid601-84-3 2,5-Dibromobenzoic acid610-71-9 2,4-Dibromobenzoic acid611-00-7 3,4-Dibromobenzoic acid619-03-4 3,5-Dibromosalicylaldehyde90-59-5

Elsewhere

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