5-Bromo-2-fluorobenzoic acid

C7H4BrFO2CAS 146328-85-0219.01 g/mol

Open in Covalent MOL file
OHOBrF
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4BrFO2
Molar mass
219.01 g/mol
Exact mass
217.9379 Da
logP
2.29Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
146328-85-0
SMILES
O=C(O)c1cc(Br)ccc1F
InChIKey
PEXAZYDITWXYNJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 5-bromo-2-fluoro-
  • 2-Fluoro-5-bromobenzoic acid

Work with 5-Bromo-2-fluorobenzoic 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

4-Bromophthalic acid6968-28-168 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-167 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 2,5-Dibromobenzoic acid610-71-964 % similar 5-Bromo-2,3-difluorobenzoic acid887585-64-063 % similar 5-Bromosalicylic acid89-55-462 % similar 2-Fluoro-5-iodobenzoic acid124700-41-060 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-fluorobenzoic acid1006-41-3 3-Bromo-4-fluorobenzoic acid1007-16-5 4-Bromo-2-fluorobenzoic acid112704-79-7 2-Bromo-3-fluorobenzoic acid132715-69-6 4-Bromo-3-fluorobenzoic acid153556-42-4 3-Bromo-2-fluorobenzoic acid161957-56-8 3-Bromo-5-fluorobenzoic acid176548-70-2 2-Bromo-6-fluorobenzoic acid2252-37-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook