chempirical

1,3-Dichloro-2,4-difluoro-5-nitrobenzene

C6HCl2F2NO2CAS 15952-70-2227.98 g/mol

Open in Covalent MOL file
ClFClFN+OO−
Aryl halideNitro

Properties

Molecular formula
C6HCl2F2NO2
Molar mass
227.98 g/mol
Exact mass
226.9352 Da
logP
3.18Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
15952-70-2
SMILES
C1=C(C(=C(C(=C1Cl)F)Cl)F)[N+](=O)[O-]
InChIKey
OWALCRQILZGQDH-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl2F2NO2/c7-2-1-3(11(12)13)6(10)4(8)5(2)9/h1H

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Names and synonyms

1 names
  • 2,4-Difluoro-3,5-dichloronitrobenzene

Work with 1,3-Dichloro-2,4-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-4-nitrobenzene393-79-366 % similar 1-Chloro-2-fluoro-3-nitrobenzene2106-49-262 % similar 3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-061 % similar 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-559 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-059 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-857 % similar 2-Chloro-1,3-difluoro-4-nitrobenzene3847-58-357 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-156 % similar

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

Elsewhere

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