chempirical

2-Bromo-3,5-difluorobenzoic acid

C7H3BrF2O2CAS 651027-01-9237.00 g/mol

Open in Covalent MOL file
OHOBrFF
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
651027-01-9
SMILES
C1=C(C=C(C(=C1C(=O)O)Br)F)F
InChIKey
KBOFTBQUYXDFEF-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF2O2/c8-6-4(7(11)12)1-3(9)2-5(6)10/h1-2H,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 2-Bromo-3,5-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

2,3,5-Trifluorobenzoic acid654-87-565 % similar 3,5-Difluoro-2-methylbenzoic acid1003710-06-261 % similar 2-Amino-3,5-difluorobenzoic acid126674-78-061 % similar 2-Bromo-3-fluorobenzoic acid132715-69-658 % similar 2,4,6-Trifluorobenzoic acid28314-80-958 % similar 2,4-Difluorobenzoic acid1583-58-057 % similar 2,5-Difluorobenzoic acid2991-28-857 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-657 % 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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