chempirical

4-Chloro-2-fluoro-1-nitrobenzene

C6H3ClFNO2CAS 700-37-8175.54 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
48–49 °C
logP
2.39Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
700-37-8
SMILES
O=[N+]([O-])c1ccc(Cl)cc1F
InChIKey
PTCPUGKKWNMITF-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H

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

Names and synonyms

3 names
  • Benzene, 4-chloro-2-fluoro-1-nitro-
  • 4-Chloro-2-fluoronitrobenzene
  • 1-Chloro-3-fluoro-4-nitrobenzene

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

4-Chloro-1,2-dinitrobenzene610-40-268 % similar 2,4-Difluoronitrobenzene446-35-564 % similar 2,4-Dichloronitrobenzene611-06-364 % similar 5-Chloro-2-nitroaniline1635-61-660 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 4-Bromo-2-fluoro-1-nitrobenzene321-23-360 % similar 3-Fluoro-4-nitrophenol394-41-260 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-460 % similar

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

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

Elsewhere

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