chempirical

2-Bromo-6-chlorobenzoic acid

C7H4BrClO2CAS 93224-85-2235.46 g/mol

Open in Covalent MOL file
BrOOHCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4BrClO2
Molar mass
235.46 g/mol
Exact mass
233.9083 Da
logP
2.80Crippen 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
93224-85-2
SMILES
C1=CC(=C(C(=C1)Br)C(=O)O)Cl
InChIKey
URGXUQODOUMRFP-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

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Work with 2-Bromo-6-chlorobenzoic 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

2,6-Dichlorobenzoic acid50-30-674 % similar 2,6-Dibromobenzoic acid601-84-374 % similar 2-Chloro-6-hydroxybenzoic acid56961-31-063 % similar 2-Amino-6-bromobenzoic acid20776-48-161 % similar 2-Chloro-6-methylbenzoic acid21327-86-661 % similar 2-Amino-6-chlorobenzoic acid2148-56-361 % similar 2-Bromo-6-fluorobenzoic acid2252-37-161 % similar 2-Chloro-6-fluorobenzoic acid434-75-361 % similar

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

Same formula

3-Bromo-5-chlorosalicylaldehyde19652-32-5 5-Bromo-2-chlorobenzoic acid21739-92-4 2-Bromo-5-chlorobenzoic acid21739-93-5 4-Bromo-3-chlorobenzoic acid25118-59-6 3-Bromo-5-chlorobenzoic acid42860-02-6 3-Bromo-4-chlorobenzoic acid42860-10-6 3-Bromo-2-chlorobenzoic acid56961-27-4 4-Bromo-2-chlorobenzoic acid59748-90-2

Elsewhere

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