4,5-Difluoro-2-iodobenzoic acid

C₇H₃F₂IO₂CAS 130137-05-2284.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃F₂IO₂
Molar mass: 284.00 g/mol
Exact mass: 283.9146 Da
logP: 2.27Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

130137-05-2

SMILES

C1=C(C(=CC(=C1F)F)I)C(=O)O

InChIKey

NHXDCVFTXJVUGK-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F2IO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)

Weigh it out

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

Work with 4,5-Difluoro-2-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

4,5-Difluorophthalic acid18959-31-473 % similar 2,4,5-Trifluorobenzoic acid446-17-368 % similar 4,5-Difluoro-2-methylbenzoic acid183237-86-765 % similar 2-Amino-4,5-difluorobenzoic acid83506-93-861 % similar 5-Fluoro-2-iodobenzoic acid52548-63-761 % similar 4-Fluoro-2-iodobenzoic acid56096-89-061 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-059 % similar 2-Bromo-4,5-difluorobenzoic acid64695-84-759 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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