chempirical

4-Chloro-1-fluoro-2-nitrobenzene

C6H3ClFNO2CAS 345-18-6175.54 g/mol

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

Properties

Molecular formula
C6H3ClFNO2
Molar mass
175.54 g/mol
Exact mass
174.9836 Da
Melting point
10.2 °C
Boiling point
236.6–236.9 °C
logP
2.39Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
345-18-6
SMILES
O=[N+]([O-])c1cc(Cl)ccc1F
InChIKey
DIAWBHLTWNWYGR-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 4-chloro-1-fluoro-2-nitro-
  • 5-Chloro-2-fluoronitrobenzene
  • 2-Fluoro-5-chloronitrobenzene
  • 2-Fluoro-5-chloro-1-nitrobenzene
  • 1-Fluoro-4-chloro-2-nitrobenzene
  • 3-Chloro-6-fluoro-1-nitrobenzene

Work with 4-Chloro-1-fluoro-2-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

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 3-Chloro-4-fluoronitrobenzene350-30-1 1-Chloro-2-fluoro-4-nitrobenzene350-31-2 2-Chloro-5-fluoronicotinic acid38186-88-8 1-Chloro-3-fluoro-2-nitrobenzene64182-61-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook