3-Chloro-2,4,5,6-tetrafluorobenzoic acid

C7HClF4O2CAS 5360-81-6228.53 g/mol

Open in Covalent MOL file
FClFFFOHO
Aryl halideCarboxylic acid

Properties

Molecular formula
C7HClF4O2
Molar mass
228.53 g/mol
Exact mass
227.9601 Da
logP
2.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
5360-81-6
SMILES
C1(=C(C(=C(C(=C1F)Cl)F)F)F)C(=O)O
InChIKey
FYAPWZAOGRABCC-UHFFFAOYSA-N
InChI
InChI=1S/C7HClF4O2/c8-2-3(9)1(7(13)14)4(10)6(12)5(2)11/h(H,13,14)

Weigh it out

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

Work with 3-Chloro-2,4,5,6-tetrafluorobenzoic 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

Pentafluorobenzoic acid602-94-872 % similar Tetrafluoroisophthalic acid1551-39-969 % similar 2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-868 % similar Tetrafluorophthalic acid652-03-965 % similar Tetrafluoro-4-hydroxybenzoic acid652-34-657 % similar Chlorthal2136-79-056 % similar 2,3,5,6-Tetrafluoro-4-methylbenzoic acid652-32-455 % similar 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3,4,5-Tetrafluoro-6-chlorobenzoic acid1868-80-0

Elsewhere

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