chempirical

2,6-Dibromobenzoic acid

C7H4Br2O2CAS 601-84-3279.91 g/mol

Open in Covalent MOL file
BrOOHBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4Br2O2
Molar mass
279.91 g/mol
Exact mass
277.8578 Da
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. Search the SDS library

Identifiers

CAS number
601-84-3
SMILES
C1=CC(=C(C(=C1)Br)C(=O)O)Br
InChIKey
HQLOEBRPCVIFCT-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Br2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

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Work with 2,6-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

2-Amino-6-bromobenzoic acid20776-48-171 % similar 2-Bromo-6-fluorobenzoic acid2252-37-171 % similar 2-Bromo-6-methylbenzoic acid90259-31-771 % similar 2-Bromo-6-methoxybenzoic acid31786-45-565 % similar 2,4,6-Tribromobenzoic acid633-12-563 % similar 2-Bromobenzoic acid88-65-359 % similar Hemimellitic acid569-51-758 % similar 5-Bromonaphthalene-1-carboxylic acid16726-67-357 % 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-Dibromobenzoic acid618-58-6 3,4-Dibromobenzoic acid619-03-4 3,5-Dibromosalicylaldehyde90-59-5

Elsewhere

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