3-Fluoro-4-nitrophenol

C₆H₄FNO₃CAS 394-41-2157.10 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₄FNO₃
Molar mass: 157.10 g/mol
Exact mass: 157.0175 Da
Melting point: 91.5–92.5 °C
logP: 1.44Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

394-41-2

SMILES

O=[N+]([O-])c1ccc(O)cc1F

InChIKey

CSSGKHVRDGATJL-UHFFFAOYSA-N

InChI

InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H

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

Names and synonyms

3 names

Phenol, 3-fluoro-4-nitro-
4-Nitro-3-fluorophenol
2-Fluoro-4-hydroxy-1-nitrobenzene

Work with 3-Fluoro-4-nitrophenol

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

4-Bromo-2-fluoro-1-nitrobenzene321-23-365 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 3-Methyl-4-nitrophenol2581-34-260 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-460 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-860 % similar Tfm (piscicide)88-30-259 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-458 % similar

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

Same formula

2-Fluoro-6-nitrophenol1526-17-6 3-Fluoro-2-nitrophenol385-01-3 4-Fluoro-2-nitrophenol394-33-2 5-Fluoro-2-nitrophenol446-36-6

Elsewhere

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