2-Fluoro-5-iodobenzoic acid

C7H4FIO2CAS 124700-41-0266.01 g/mol

Open in Covalent MOL file
OHOIF
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4FIO2
Molar mass
266.01 g/mol
Exact mass
265.9240 Da
Melting point
161–163 °C
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 48 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
124700-41-0
SMILES
O=C(O)c1cc(I)ccc1F
InChIKey
QNNJHBNTHVHALE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FIO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names
  • Benzoic acid, 2-fluoro-5-iodo-

Work with 2-Fluoro-5-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

2,5-Diiodobenzoic acid14192-12-264 % similar 2,5-Difluorobenzoic acid2991-28-864 % similar 5-Iodosalicylic acid119-30-262 % similar 2-Fluoro-5-hydroxybenzoic acid51446-30-162 % similar 5-Iodo-2-methylbenzoic acid54811-38-062 % similar 5-Bromo-2-fluorobenzoic acid146328-85-060 % similar 2-Fluoro-5-iodobenzoyl chloride186584-73-660 % similar 2-Chloro-5-iodobenzoic acid19094-56-560 % 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 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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