3-Hydroxy-2,4,5-trifluorobenzoic acid

C₇H₃F₃O₃CAS 116751-24-7192.09 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₃F₃O₃
Molar mass: 192.09 g/mol
Exact mass: 192.0034 Da
logP: 1.51Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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

116751-24-7

SMILES

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

InChIKey

YYAFUGSJSHXYNK-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F3O3/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1,11H,(H,12,13)

Weigh it out

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

Names and synonyms

1 names

2,4,5-Trifluoro-3-hydroxybenzoic Acid

Work with 3-Hydroxy-2,4,5-trifluorobenzoic 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

2,3,4,5-Tetrafluorobenzoic acid1201-31-671 % similar 3,4-Difluoro-2-hydroxybenzoic acid189283-51-065 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-363 % similar 3-Bromo-2,4,5-trifluorobenzoic acid104222-42-663 % similar 2,4,5-Trifluoro-3-methylbenzoic acid112822-85-263 % similar 3-Amino-2,4,5-trifluorobenzoic acid119385-80-763 % similar 2,3,5-Trifluorobenzoic acid654-87-562 % similar 4,5-Difluorophthalic acid18959-31-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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