2-Bromo-6-fluorobenzoic acid

C7H4BrFO2CAS 2252-37-1219.01 g/mol

Open in Covalent MOL file
BrOOHF
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 42 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
2252-37-1
SMILES
C1=CC(=C(C(=C1)Br)C(=O)O)F
InChIKey
MDAZJVAIZVUWDE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

Weigh it out

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Work with 2-Bromo-6-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

2,6-Difluorobenzoic acid385-00-275 % similar 2,6-Dibromobenzoic acid601-84-371 % similar 3-Fluorophthalic acid1583-67-166 % similar 3-Bromo-2,6-difluorobenzoic acid28314-81-065 % similar 2-Chloro-6-fluorobenzoic acid434-75-364 % similar 2-Fluoro-6-hydroxybenzoic acid67531-86-664 % similar 3,6-Difluorophthalic acid651-97-862 % similar 2-Fluoro-6-iodobenzoic acid111771-08-562 % 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 5-Bromo-2-fluorobenzoic acid146328-85-0 4-Bromo-3-fluorobenzoic acid153556-42-4 3-Bromo-2-fluorobenzoic acid161957-56-8 3-Bromo-5-fluorobenzoic acid176548-70-2

Elsewhere

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