2,4,6-Trichloronitrobenzene

C₆H₂Cl₃NO₂CAS 18708-70-8226.44 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂Cl₃NO₂
Molar mass: 226.44 g/mol
Exact mass: 224.9151 Da
Melting point: 72 °C
logP: 3.56Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

18708-70-8

SMILES

O=[N+]([O-])c1c(Cl)cc(Cl)cc1Cl

InChIKey

AEBJDOTVYMITIA-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3,5-trichloro-2-nitro-
1,3,5-Trichloro-2-nitrobenzene
2,4,6-Trichloro-1-nitrobenzene
NSC 10244

Work with 2,4,6-Trichloronitrobenzene

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

1,3,5-Trichloro-2,4-dinitrobenzene6284-83-964 % similar 2,4-Dichloronitrobenzene611-06-363 % similar 1,2,4,5-Tetrachloro-3-nitrobenzene117-18-059 % similar 1,4-Dichloro-2-nitrobenzene89-61-258 % similar 2,4-Dichloro-6-nitroaniline2683-43-458 % similar 2,4-Dichloro-6-nitrophenol609-89-258 % similar 3,5-Dichloronitrobenzene618-62-257 % similar 4-Nitrochlorobenzene100-00-552 % similar

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

Same formula

2,3,4-Trichloronitrobenzene17700-09-3 1,2,3-Trichloro-5-nitrobenzene20098-48-0 2,4,5-Trichloronitrobenzene89-69-0

Elsewhere

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