5-Fluoro-2-iodobenzoic acid

C₇H₄FIO₂CAS 52548-63-7266.01 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₄FIO₂
Molar mass: 266.01 g/mol
Exact mass: 265.9240 Da
logP: 2.13Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

52548-63-7

SMILES

C1=CC(=C(C=C1F)C(=O)O)I

InChIKey

XPFMQYOPTHMSJJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H4FIO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Weigh it out

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Work with 5-Fluoro-2-iodobenzoic 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-Fluorophthalic acid320-97-868 % similar 5-Fluoro-2-methylbenzoic acid33184-16-665 % similar 2,5-Diiodobenzoic acid14192-12-264 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 5-Fluorosalicylic acid345-16-462 % similar 2-Amino-4-fluorobenzoic acid446-32-262 % similar 4,5-Difluoro-2-iodobenzoic acid130137-05-261 % similar 5-Chloro-2-iodobenzoic acid13421-00-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-6-iodobenzoic acid111771-08-5 2-Fluoro-4-iodobenzoic acid124700-40-9 2-Fluoro-5-iodobenzoic acid124700-41-0 4-Fluoro-2-iodobenzoic acid56096-89-0 3-Fluoro-4-iodobenzoic acid825-98-9

Elsewhere

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