chempirical

1,3-Dichloro-2-fluoro-4-nitrobenzene

C6H2Cl2FNO2CAS 393-79-3209.99 g/mol

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

Properties

Molecular formula
C6H2Cl2FNO2
Molar mass
209.99 g/mol
Exact mass
208.9447 Da
Boiling point
88 °C (at 1 Torr)
logP
3.04Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
393-79-3
SMILES
O=[N+]([O-])c1ccc(Cl)c(F)c1Cl
InChIKey
JSEVUBOYVADSHX-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl2FNO2/c7-3-1-2-4(10(11)12)5(8)6(3)9/h1-2H

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Names and synonyms

3 names
  • Benzene, 1,3-dichloro-2-fluoro-4-nitro-
  • 2,4-Dichloro-3-fluoronitrobenzene
  • NSC 10242

Work with 1,3-Dichloro-2-fluoro-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

2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-171 % similar 2,3,4-Trichloronitrobenzene17700-09-369 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-267 % similar 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-061 % similar 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-361 % similar 2,3-Dichloronitrobenzene3209-22-159 % similar 2,6-Dichloro-3-nitrobenzonitrile5866-98-856 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-956 % similar

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

Same formula

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-8 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-5 2,6-Dichloro-5-fluoronicotinic acid82671-06-5

Elsewhere

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