1-Chloro-2,3-difluoro-5-nitrobenzene

C6H2ClF2NO2CAS 53780-44-2193.53 g/mol

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

Properties

Molecular formula
C6H2ClF2NO2
Molar mass
193.53 g/mol
Exact mass
192.9742 Da
logP
2.53Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
53780-44-2
SMILES
O=[N+]([O-])c1cc(F)c(F)c(Cl)c1
InChIKey
BSKCLLCICPDISV-UHFFFAOYSA-N
InChI
InChI=1S/C6H2ClF2NO2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H

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Names and synonyms

3 names
  • Benzene, 1-chloro-2,3-difluoro-5-nitro-
  • 5-Chloro-3,4-difluoronitrobenzene
  • 3-Chloro-4,5-difluoronitrobenzene

Work with 1-Chloro-2,3-difluoro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-580 % similar 3,4,5-Trifluoronitrobenzene66684-58-073 % similar 3-Chloro-4-fluoronitrobenzene350-30-163 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-263 % similar 1,3-Dichloro-2-methyl-5-nitrobenzene7149-69-159 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-058 % similar 2,6-Dichloro-4-nitrophenol618-80-454 % similar 2,6-Dichloro-4-nitroaniline99-30-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-1 4-Chloro-2,3-difluoronitrobenzene169468-80-8 2-Chloro-3,4-difluoro-1-nitrobenzene169468-83-1 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-3

Elsewhere

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