chempirical

2-Fluoro-6-iodobenzoic acid

C7H4FIO2CAS 111771-08-5266.01 g/mol

Open in Covalent MOL file
IOOHF
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

Identifiers

CAS number
111771-08-5
SMILES
C1=CC(=C(C(=C1)I)C(=O)O)F
InChIKey
CYCXAPWOBWWNRK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FIO2/c8-4-2-1-3-5(9)6(4)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-6-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

2,6-Difluorobenzoic acid385-00-272 % similar 3-Fluorophthalic acid1583-67-164 % similar 2-Chloro-6-fluorobenzoic acid434-75-362 % similar 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-157 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-855 % similar 2-Cyano-6-fluorobenzoic acid887266-96-855 % similar 2,3,6-Trifluorobenzoic acid2358-29-453 % similar 2-Fluoro-6-nitrobenzoic acid385-02-453 % similar

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

Same formula

2-Fluoro-4-iodobenzoic acid124700-40-9 2-Fluoro-5-iodobenzoic acid124700-41-0

Elsewhere

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