chempirical

4-Chloro-1,2-dinitrobenzene

C6H3ClN2O4CAS 610-40-2202.55 g/mol

Open in Covalent MOL file
ON+O−ClN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3ClN2O4
Molar mass
202.55 g/mol
Exact mass
201.9781 Da
Density
1.69 g/mL
Melting point
40 °C
logP
2.16Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
610-40-2
SMILES
O=[N+]([O-])c1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
QVQSOXMXXFZAKU-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H

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Names and synonyms

5 names
  • Benzene, 4-chloro-1,2-dinitro-
  • 1-Chloro-3,4-dinitrobenzene
  • 3,4-Dinitrochlorobenzene
  • 1,2-Dinitro-4-chlorobenzene
  • NSC 119343

Work with 4-Chloro-1,2-dinitrobenzene

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

2,4-Dichloronitrobenzene611-06-372 % similar 1,4-Dichloro-2-nitrobenzene89-61-272 % similar 5-Chloro-2-nitroaniline1635-61-668 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-668 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-668 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-268 % similar 4-Chloro-2-fluoro-1-nitrobenzene700-37-868 % similar 4-Chloro-1-methyl-2-nitrobenzene89-59-868 % similar

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

Same formula

2-Chloro-1,3-dinitrobenzene606-21-3 2,4-Dinitrochlorobenzene97-00-7

Elsewhere

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