5-Amino-2-chloro-4-fluorophenol

C₆H₅ClFNOCAS 84478-72-8161.56 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₆H₅ClFNO
Molar mass: 161.56 g/mol
Exact mass: 161.0044 Da
Melting point: 145–146 °C (decomposes)
logP: 1.77Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

84478-72-8

SMILES

Nc1cc(O)c(Cl)cc1F

InChIKey

AFZLCOLNTRPSIF-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2

Weigh it out

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

Names and synonyms

4 names

Phenol, 5-amino-2-chloro-4-fluoro-
2-Chloro-4-fluoro-5-aminophenol
4-Chloro-2-fluoro-5-hydroxyaniline
2-Fluoro-4-chloro-5-hydroxyaniline

Work with 5-Amino-2-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

5-Amino-2,4-difluorophenol113512-71-364 % similar 4-Amino-2,5-difluorophenol120103-19-759 % similar 2,5-Dichlorohydroquinone824-69-150 % similar 4,6-Dichlororesorcinol137-19-948 % similar 2-Chloro-4-fluoro-5-methylaniline124185-35-947 % similar 2,4,5-Trifluoroaniline367-34-046 % similar 2,4,5-Trichlorophenol95-95-446 % similar 4-Bromo-2,5-difluoroaniline112279-60-444 % similar

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

Elsewhere

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