2-Fluoro-4-iodobenzoic acid

C7H4FIO2CAS 124700-40-9266.01 g/mol

Open in Covalent MOL file
IFOOH
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 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
124700-40-9
SMILES
C1=CC(=C(C=C1I)F)C(=O)O
InChIKey
OLQSJAFBRCOGPQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FIO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Work with 2-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

2,4-Difluorobenzoic acid1583-58-064 % similar 2-Amino-4-iodo-benzoic acid20776-54-962 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-362 % similar 2-(2-Fluoro-4-iodoanilino)-3,4-difluorobenzoic acid391211-97-560 % similar 4-Bromo-2-fluorobenzoic acid112704-79-760 % similar 4-Chloro-2-fluorobenzoic acid446-30-060 % similar 4-Amino-2-fluorobenzoic acid446-31-160 % similar 2-Fluoro-4-methylbenzoic acid7697-23-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-6-iodobenzoic acid111771-08-5 2-Fluoro-5-iodobenzoic acid124700-41-0 5-Fluoro-2-iodobenzoic acid52548-63-7 4-Fluoro-2-iodobenzoic acid56096-89-0 3-Fluoro-4-iodobenzoic acid825-98-9

Elsewhere

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