3-Fluoro-4-iodobenzoic acid

C₇H₄FIO₂CAS 825-98-9266.01 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

825-98-9

SMILES

C1=CC(=C(C=C1C(=O)O)F)I

InChIKey

KPMBAMKKTJSICO-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with 3-Fluoro-4-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

3,4-Difluorobenzoic acid455-86-768 % similar 3-Fluoro-4-methylbenzoic acid350-28-765 % similar 3-Fluoro-4-hydroxybenzoic acid350-29-862 % similar 4-Iodo-3-methylbenzoic acid52107-87-662 % similar 3-Hydroxy-4-iodobenzoic acid58123-77-662 % similar 4-Bromo-3-fluorobenzoic acid153556-42-460 % similar 4-Fluoro-3-methylbenzoic acid403-15-660 % similar 4-Chloro-3-fluorobenzoic acid403-17-860 % 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 5-Fluoro-2-iodobenzoic acid52548-63-7 4-Fluoro-2-iodobenzoic acid56096-89-0

Elsewhere

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