chempirical

2-Bromo-3,4-difluorobenzoic acid

C7H3BrF2O2CAS 170108-05-1237.00 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

Identifiers

CAS number
170108-05-1
SMILES
C1=CC(=C(C(=C1C(=O)O)Br)F)F
InChIKey
SPVFFPDJYPMULI-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF2O2/c8-5-3(7(11)12)1-2-4(9)6(5)10/h1-2H,(H,11,12)

Weigh it out

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

Work with 2-Bromo-3,4-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

2,3,4-Trifluorobenzoic acid61079-72-969 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-666 % similar 2-Bromo-3-fluorobenzoic acid132715-69-663 % similar 2,3-Difluorobenzoic acid4519-39-557 % similar 3,4-Difluoro-2-methoxybenzoic acid875664-52-156 % similar 2,3,6-Trifluorobenzoic acid2358-29-456 % similar 5-Bromo-2-fluorobenzoic acid146328-85-054 % similar 3-Bromo-2-fluorobenzoic acid161957-56-851 % 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 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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