3-Chloro-5-(trifluoromethoxy)benzoic acid

C₈H₄ClF₃O₃CAS 433926-46-6240.56 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₄ClF₃O₃
Molar mass: 240.56 g/mol
Exact mass: 239.9801 Da
logP: 2.94Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

433926-46-6

SMILES

C1=C(C=C(C=C1OC(F)(F)F)Cl)C(=O)O

InChIKey

KVXQRRFQLRUCKN-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClF3O3/c9-5-1-4(7(13)14)2-6(3-5)15-8(10,11)12/h1-3H,(H,13,14)

Weigh it out

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

Work with 3-Chloro-5-(trifluoromethoxy)benzoic 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

3-Bromo-5-(trifluoromethoxy)benzoicacid453565-90-768 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-966 % similar 3,5-Dichlorobenzoic acid51-36-561 % similar 4-(Trifluoromethoxy)benzoic acid330-12-159 % similar 3-Chloro-5-(trifluoromethyl)benzoic acid53985-49-259 % similar 3-Chloro-5-fluorobenzoic acid25026-64-655 % similar 3-Bromo-5-chlorobenzoic acid42860-02-653 % similar 3-Chloro-5-hydroxybenzoic Acid53984-36-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-4-(trifluoromethoxy)benzoic acid158580-93-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook