2-Bromo-3-fluorobenzoic acid

C7H4BrFO2CAS 132715-69-6219.01 g/mol

Open in Covalent MOL file
FBrOOH
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

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
132715-69-6
SMILES
C1=CC(=C(C(=C1)F)Br)C(=O)O
InChIKey
KQRCBMPPEPNNDS-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)

Weigh it out

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Work with 2-Bromo-3-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-Fluorobenzoic acid445-29-465 % similar 3-Fluorophthalic acid1583-67-164 % similar 2,3-Difluorobenzoic acid4519-39-564 % similar 2-Bromo-3,4-difluorobenzoic acid170108-05-163 % similar 2-Chloro-3-fluorobenzoic acid102940-86-362 % similar 3-Fluoro-2-hydroxybenzoic acid341-27-562 % similar 2-Bromo-3-methylbenzoic acid53663-39-160 % similar 3-Fluoro-2-methylbenzoic acid699-90-160 % 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 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 2-Bromo-6-fluorobenzoic acid2252-37-1

Elsewhere

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