3-Chloro-4-fluorophenol

C₆H₄ClFOCAS 2613-23-2146.55 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄ClFO
Molar mass: 146.55 g/mol
Exact mass: 145.9935 Da
logP: 2.18Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

2613-23-2

SMILES

Oc1ccc(F)c(Cl)c1

InChIKey

ZQXLIXHVJVAPLW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

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

Names and synonyms

2 names

Phenol, 3-chloro-4-fluoro-
4-Fluoro-3-chlorophenol

Work with 3-Chloro-4-fluorophenol

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

3,4-Difluorophenol2713-33-960 % similar 3,4-Dichlorophenol95-77-260 % similar 4-Bromo-2-chloro-1-fluorobenzene60811-21-457 % similar 4-Fluoro-1,3-dihydroxybenzene103068-41-356 % similar 2,4-Dichlorofluorobenzene1435-48-956 % similar Chlorohydroquinone615-67-856 % similar 2-Chloro-1-fluoro-4-methylbenzene1513-25-354 % similar 4-Bromo-3-chlorophenol13631-21-552 % similar

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

Same formula

2-Chloro-4-fluorophenol1996-41-4 3-Chloro-5-fluorophenol202982-70-5 2-Chloro-6-fluorophenol2040-90-6 4-Chloro-3-fluorophenol348-60-7 4-Chloro-2-fluorophenol348-62-9 2-Chloro-5-fluorophenol3827-49-4

Elsewhere

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