chempirical

1,4-Dichlorobenzene-D4

C6D4Cl2CAS 3855-82-1151.02 g/mol

Open in Covalent MOL file
DDClDDCl
Aryl halide

Properties

Molecular formula
C6D4Cl2
Molar mass
151.02 g/mol
Exact mass
149.9941 Da
logP
2.99Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
3855-82-1
SMILES
[2H]c1c([2H])c(Cl)c([2H])c([2H])c1Cl
InChIKey
OCJBOOLMMGQPQU-RHQRLBAQSA-N
InChI
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1D,2D,3D,4D

Weigh it out

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

Names and synonyms

7 names
  • Benzene-1,2,4,5-d4, 3,6-dichloro-
  • Benzene-1,2,4,5-d4, dichloro-
  • 3,6-Dichlorobenzene-1,2,4,5-d4
  • Tetradeutero-p-dichlorobenzene
  • p-Dichlorobenzene-d4
  • 1,4-Dichloroperdeuteriobenzene
  • 1,4-Dichloro-2,3,5,6-tetradeuteriobenzene

Work with 1,4-Dichlorobenzene-D4

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

Chlorobenzene-D53114-55-462 % similar

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

Same formula

1,4-Dichlorobenzene106-46-7 1,2-Dichlorobenzene-D42199-69-1 1,3-Dichlorobenzene541-73-1 1,2-Dichlorobenzene95-50-1

Elsewhere

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