chempirical

5-Bromo-2,3-difluorobenzoic acid

C7H3BrF2O2CAS 887585-64-0237.00 g/mol

Open in Covalent MOL file
OHOFFBr
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H3BrF2O2
Molar mass
237.00 g/mol
Exact mass
235.9284 Da
logP
2.43Crippen 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
887585-64-0
SMILES
C1=C(C=C(C(=C1C(=O)O)F)F)Br
InChIKey
IOYATAKVVIXJQT-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)

Weigh it out

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Work with 5-Bromo-2,3-difluorobenzoic 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-5-bromo-3-fluorobenzoic acid874784-14-267 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-666 % similar 2,3,5-Trifluorobenzoic acid654-87-565 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-664 % similar 4-Bromo-2-fluorobenzoic acid112704-79-763 % similar 5-Bromo-2-fluorobenzoic acid146328-85-063 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-361 % similar 3-Hydroxy-2,4,5-trifluorobenzoic acid116751-24-758 % similar

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

Same formula

3-Bromo-4,5-difluorobenzoic acid1244642-73-6 4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-7 2-Bromo-3,4-difluorobenzoic acid170108-05-1 4-Bromo-2,6-difluorobenzoic acid183065-68-1 4-Bromo-2,3-difluorobenzoic acid194804-91-6 3-Bromo-2,6-difluorobenzoic acid28314-81-0 4-Bromo-2,5-difluorobenzoic acid28314-82-1 5-Bromo-2,4-difluorobenzoic acid28314-83-2

Elsewhere

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