2,4-Dichloro-5-fluorobenzoic acid

C₇H₃Cl₂FO₂CAS 86522-89-6209.00 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₃Cl₂FO₂
Molar mass: 209.00 g/mol
Exact mass: 207.9494 Da
logP: 2.83Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

86522-89-6

SMILES

C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O

InChIKey

KZCWJHUTTSVCRO-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)

Weigh it out

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

Work with 2,4-Dichloro-5-fluorobenzoic 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-Chloro-4,5-difluorobenzoic acid110877-64-083 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-180 % similar 5-Chloro-2,4-difluorobenzoic acid130025-33-174 % similar 4-Bromo-2-chloro-5-fluorobenzoic acid177480-81-871 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-168 % similar 4,5-Difluorophthalic acid18959-31-462 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-261 % similar 2′,4′-Dichloro-5′-fluoroacetophenone704-10-959 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-3-fluorobenzoic acid178813-78-0

Elsewhere

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