chempirical

2,3,4-Trichloronitrobenzene

C6H2Cl3NO2CAS 17700-09-3226.44 g/mol

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

Properties

Molecular formula
C6H2Cl3NO2
Molar mass
226.44 g/mol
Exact mass
224.9151 Da
Melting point
55–56 °C
logP
3.56Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
17700-09-3
SMILES
O=[N+]([O-])c1ccc(Cl)c(Cl)c1Cl
InChIKey
BGKIECJVXXHLDP-UHFFFAOYSA-N
InChI
InChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,2,3-trichloro-4-nitro-
  • 1,2,3-Trichloro-4-nitrobenzene
  • 2,3,4-Trichloro-1-nitrobenzene
  • NSC 91490

Work with 2,3,4-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

2,3-Dichloronitrobenzene3209-22-172 % similar 1,3-Dichloro-2-methyl-4-nitrobenzene29682-46-069 % similar 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-369 % similar 1,2,3,4-Tetrachloro-5-nitrobenzene879-39-067 % similar 2,6-Dichloro-3-nitrobenzonitrile5866-98-863 % similar 2-Nitrochlorobenzene88-73-355 % similar 1-Bromo-2-chloro-3-nitrobenzene3970-37-455 % similar 2,4-Dichloronitrobenzene611-06-355 % similar

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

Same formula

2,4,6-Trichloronitrobenzene18708-70-8 1,2,3-Trichloro-5-nitrobenzene20098-48-0 2,4,5-Trichloronitrobenzene89-69-0

Elsewhere

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