1,2,3,5-Tetrafluoro-4-nitrobenzene

C₆HF₄NO₂CAS 314-41-0195.07 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆HF₄NO₂
Molar mass: 195.07 g/mol
Exact mass: 194.9943 Da
Boiling point: 76–77 °C (at 20 Torr)
logP: 2.15Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

314-41-0

SMILES

O=[N+]([O-])c1c(F)cc(F)c(F)c1F

InChIKey

FDLCUAUNAWWSBX-UHFFFAOYSA-N

InChI

InChI=1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H

Weigh it out

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

Names and synonyms

3 names

Benzene, 1,2,3,5-tetrafluoro-4-nitro-
2,3,4,6-Tetrafluoronitrobenzene
2,3,4,6-Tetrafluoro-1-nitrobenzene

Work with 1,2,3,5-Tetrafluoro-4-nitrobenzene

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

1,3,5-Trifluoro-2-nitrobenzene315-14-060 % similar 3,4,5-Trifluoronitrobenzene66684-58-060 % similar Pentafluoronitrobenzene880-78-459 % similar 1,5-Difluoro-2,4-dinitrobenzene327-92-453 % similar 1,3-Difluoro-2-nitrobenzene19064-24-552 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-552 % similar 1,2,3-Trifluoro-4-nitrobenzene771-69-752 % similar 3,5-Difluoro-4-nitrobenzonitrile1123172-88-251 % similar

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

Same formula

1,2,3,4-Tetrafluoro-5-nitrobenzene5580-79-0

Elsewhere

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