chempirical

3,5-Dichloronitrobenzene

C6H3Cl2NO2CAS 618-62-2192.00 g/mol

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

Properties

Molecular formula
C6H3Cl2NO2
Molar mass
192.00 g/mol
Exact mass
190.9541 Da
Density
1.69 g/mL
Melting point
64.5 °C
logP
2.90Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
618-62-2
SMILES
O=[N+]([O-])c1cc(Cl)cc(Cl)c1
InChIKey
RNABGKOKSBUFHW-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H

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Names and synonyms

5 names
  • Benzene, 1,3-dichloro-5-nitro-
  • 1,3-Dichloro-5-nitrobenzene
  • 3,5-Dichloro-1-nitrobenzene
  • NSC 53841
  • NSC 60642

Work with 3,5-Dichloronitrobenzene

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-Trinitrobenzene99-35-464 % similar 4-Nitrochlorobenzene100-00-562 % similar 2,4,6-Trichloronitrobenzene18708-70-857 % similar 1,2,3-Trichloro-5-nitrobenzene20098-48-057 % similar Picryl chloride88-88-057 % similar 1,3-Dinitrobenzene99-65-054 % similar 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-553 % similar 2,6-Dichloro-4-nitrophenol618-80-453 % similar

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

Same formula

Clopyralid1702-17-6 2,3-Dichloronitrobenzene3209-22-1 2,6-Dichloronicotinic acid38496-18-3 5,6-Dichloronicotinic acid41667-95-2 2,6-Dichloroisonicotinic acid5398-44-7 1,3-Dichloro-2-nitrobenzene601-88-7 2,4-Dichloronitrobenzene611-06-3 4,6-Dichloronicotinic acid73027-79-9

Elsewhere

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