chempirical

1,2,3,4-Tetrachloro-5-nitrobenzene

C6HCl4NO2CAS 879-39-0260.88 g/mol

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

Properties

Molecular formula
C6HCl4NO2
Molar mass
260.88 g/mol
Exact mass
258.8761 Da
Melting point
65–66 °C
logP
4.21Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
879-39-0
SMILES
O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl
InChIKey
MTBYTWZDRVOMBR-UHFFFAOYSA-N
InChI
InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1,2,3,4-tetrachloro-5-nitro-
  • 2,3,4,5-Tetrachloro-1-nitrobenzene
  • 1-Nitro-2,3,4,5-tetrachlorobenzene
  • NSC 5577
  • NSC 57752

Work with 1,2,3,4-Tetrachloro-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

2,3,4-Trichloronitrobenzene17700-09-367 % similar 2,4,5-Trichloronitrobenzene89-69-062 % similar 2,3-Dichloronitrobenzene3209-22-161 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-060 % similar Picryl chloride88-88-060 % similar 1,3-Dichloro-4,6-dinitrobenzene3698-83-759 % similar 2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-356 % similar 1,3,5-Trichloro-2,4-dinitrobenzene6284-83-955 % similar

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

Same formula

Tetrachloropicolinic acid10469-09-7 1,2,4,5-Tetrachloro-3-nitrobenzene117-18-0

Elsewhere

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