2,3,4,5-Tetrafluorobenzoyl chloride

C₇HClF₄OCAS 94695-48-4212.53 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₇HClF₄O
Molar mass: 212.53 g/mol
Exact mass: 211.9652 Da
Boiling point: 65–70 °C (at 15 Torr)
logP: 2.62Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

94695-48-4

SMILES

O=C(Cl)c1cc(F)c(F)c(F)c1F

InChIKey

XWCKIXLTBNGIHV-UHFFFAOYSA-N

InChI

InChI=1S/C7HClF4O/c8-7(13)2-1-3(9)5(11)6(12)4(2)10/h1H

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Names and synonyms

2 names

Benzoyl chloride, 2,3,4,5-tetrafluoro-
2,3,4,5-Tetrafluorobenzoic acid chloride

Work with 2,3,4,5-Tetrafluorobenzoyl chloride

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

2,3,5-Trifluorobenzoyl chloride240800-48-068 % similar 2,4,5-Trifluoro-3-methoxybenzoyl chloride112811-66-263 % similar 2,3,4,5-Tetrafluorobenzoic acid1201-31-656 % similar 4-Chloro-2,5-difluorobenzoyl chloride132794-08-255 % similar 2,4-Dichloro-5-fluorobenzoyl chloride86393-34-255 % similar Pentafluorobenzoyl chloride2251-50-554 % similar 2,5-Difluorobenzoyl chloride35730-09-750 % similar 2-Fluorobenzoyl chloride393-52-250 % similar

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

Same formula

2,3,5,6-Tetrafluorobenzoyl chloride107535-73-9

Elsewhere

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