chempirical

3-Chloro-4-fluoronitrobenzene

C6H3ClFNO2CAS 350-30-1175.54 g/mol

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

Properties

Molecular formula
C6H3ClFNO2
Molar mass
175.54 g/mol
Exact mass
174.9836 Da
Melting point
41.5 °C
Boiling point
92–93 °C (at 7.5 Torr)
logP
2.39Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
350-30-1
SMILES
O=[N+]([O-])c1ccc(F)c(Cl)c1
InChIKey
DPHCXXYPSYMICK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

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Names and synonyms

8 names
  • Benzene, 2-chloro-1-fluoro-4-nitro-
  • 2-Chloro-1-fluoro-4-nitrobenzene
  • 1-Chloro-2-fluoro-5-nitrobenzene
  • 3-Chloro-4-fluoro-1-nitrobenzene
  • NSC 163894
  • 4-Fluoro-3-chloronitrobenzene
  • 1-Fluoro-2-chloro-4-nitrobenzene
  • 2-Chloro-4-nitrofluorobenzene

Work with 3-Chloro-4-fluoronitrobenzene

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

Same formula

1-Chloro-2-fluoro-3-nitrobenzene2106-49-2 2-Chloro-4-fluoro-1-nitrobenzene2106-50-5 2-Chloro-1-fluoro-3-nitrobenzene21397-07-9 1-Chloro-4-fluoro-2-nitrobenzene345-17-5 4-Chloro-1-fluoro-2-nitrobenzene345-18-6 1-Chloro-2-fluoro-4-nitrobenzene350-31-2 2-Chloro-5-fluoronicotinic acid38186-88-8 1-Chloro-3-fluoro-2-nitrobenzene64182-61-2

Elsewhere

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