chempirical

4-Bromo-2,3-difluorobenzoic acid

C7H3BrF2O2CAS 194804-91-6237.00 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

Identifiers

CAS number
194804-91-6
SMILES
C1=CC(=C(C(=C1C(=O)O)F)F)Br
InChIKey
IRUDFVTZXQTEFN-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF2O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12)

Weigh it out

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

Work with 4-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

3-Bromo-2-fluorobenzoic acid161957-56-874 % similar 2,3,4-Trifluorobenzoic acid61079-72-963 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-859 % similar 2-Bromo-5-fluorobenzoic acid394-28-557 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-054 % similar 2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-352 % similar 2,3-Difluorobenzoic acid4519-39-551 % similar Bromoterephthalic acid586-35-651 % 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 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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