2-Bromo-4,5-difluorobenzoic acid

C₇H₃BrF₂O₂CAS 64695-84-7237.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed86.7% of notifiers
H315 Causes skin irritation11.1% of notifiers
H319 Causes serious eye irritation11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

64695-84-7

SMILES

C1=C(C(=CC(=C1F)F)Br)C(=O)O

InChIKey

DGCBGBZYTNTZJH-UHFFFAOYSA-N

InChI

InChI=1S/C7H3BrF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 2-Bromo-4,5-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

2,5-Dibromo-1,4-benzenedicarboxylic acid13731-82-370 % similar 4,5-Difluorophthalic acid18959-31-470 % similar 2,4,5-Trifluorobenzoic acid446-17-366 % similar 4-Bromo-2-chloro-5-fluorobenzoic acid177480-81-863 % similar 4-Bromo-2-fluoro-5-methylbenzoic acid415965-24-163 % similar 4,5-Difluoro-2-iodobenzoic acid130137-05-259 % similar 2-Amino-4,5-difluorobenzoic acid83506-93-859 % similar 2-Bromo-4-fluorobenzoic acid1006-41-359 % 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 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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