chempirical

1,2,4-Trifluoro-5-nitrobenzene

C6H2F3NO2CAS 2105-61-5177.08 g/mol

Open in Covalent MOL file
ON+O−FFF
Aryl halideNitro

Properties

Molecular formula
C6H2F3NO2
Molar mass
177.08 g/mol
Exact mass
177.0038 Da
Melting point
−11 °C
Boiling point
194.5 °C
logP
2.01Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2105-61-5
SMILES
O=[N+]([O-])c1cc(F)c(F)cc1F
InChIKey
ROJNMGYMBLNTPK-UHFFFAOYSA-N
InChI
InChI=1S/C6H2F3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

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Names and synonyms

5 names
  • Benzene, 1,2,4-trifluoro-5-nitro-
  • 2,4,5-Trifluoronitrobenzene
  • 2,4,5-Trifluoro-1-nitrobenzene
  • 5-Nitro-1,2,4-trifluorobenzene
  • NSC 10248

Work with 1,2,4-Trifluoro-5-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Difluoro-2,4-dinitrobenzene327-92-487 % similar 2,4-Difluoro-5-nitrophenol113512-57-569 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-169 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-469 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-066 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-866 % similar 4,5-Difluoro-2-nitroaniline78056-39-066 % similar 2,4-Dinitro-5-fluoroaniline367-81-763 % similar

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

Same formula

1,3,5-Trifluoro-2-nitrobenzene315-14-0 3,4,5-Trifluoronitrobenzene66684-58-0 1,2,3-Trifluoro-4-nitrobenzene771-69-7

Elsewhere

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