3-Fluoro-4-iodobenzoic acid

C7H4FIO2CAS 825-98-9266.01 g/mol

Open in Covalent MOL file
OHOFI
Aryl halideCarboxylic 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
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

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

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-p-toluic 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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